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F36 : Summary
Code ![](/pdbe/static/images/help.png)
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F36
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C16 H12 N2 O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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264.279 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3)C |
SMILES
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CACTVS |
3.385 |
CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H12N2O2/c1-10(19)11-6-8-12(9-7-11)15-17-14-5-3-2-4-13(14)16(20)18-15/h2-9H,1H3,(H,17,18,20) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VLRQJLLWRMXGLP-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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32 (20 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2013-06-20
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Last modified at ![](/pdbe/static/images/help.png)
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2014-09-05
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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