Chemical Components in the PDB

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G9H : Summary

Code

G9H

One-letter code

X

Molecule name

2-[(dimethylamino)methyl]-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one

Systematic names

Not Assigned

Formula

C13 H16 N4 O

Formal charge

0

Molecular weight

244.292 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 CN(C)Cc1nc2cccc3C(=O)NCCn1c23
SMILES OpenEye OEToolkits 1.7.0 CN(C)Cc1nc2cccc3c2n1CCNC3=O
Canonical SMILES CACTVS 3.352 CN(C)Cc1nc2cccc3C(=O)NCCn1c23
Canonical SMILES OpenEye OEToolkits 1.7.0 CN(C)Cc1nc2cccc3c2n1CCNC3=O

IUPAC InChI

InChI=1S/C13H16N4O/c1-16(2)8-11-15-10-5-3-4-9-12(10)17(11)7-6-14-13(9)18/h3-5H,6-8H2,1-2H3,(H,14,18)

IUPAC InChI key

QRQMULXVGGGLGB-UHFFFAOYSA-N
G9H

wwPDB Information

Atom count

34 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-11-03

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned