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PMZ : Summary
Code
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PMZ
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One-letter code
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X
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Molecule name
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1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE
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Systematic names
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Formula
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C19 H22 N2 O S
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Formal charge
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0
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Molecular weight
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326.456 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(c2cc1N(c3c(Sc1cc2)cccc3)CCCN(C)C)C |
SMILES
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CACTVS |
3.341 |
CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C |
Canonical SMILES
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CACTVS |
3.341 |
CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C |
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IUPAC InChI | InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3 |
IUPAC InChI key | NOSIYYJFMPDDSA-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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45 (23 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2002-06-20
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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