Chemical Components in the PDB

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S60 : Summary

Code

S60

One-letter code

X

Molecule name

6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

Systematic names

ProgramVersionName
ACDLabs 10.04 6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
OpenEye OEToolkits 1.5.0 6-amino-2-methyl-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one

Formula

C10 H9 N5 O

Formal charge

0

Molecular weight

215.211 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c3c(N=C(N)N1)cc2nc(nc2c3)C
SMILES CACTVS 3.341 Cc1[nH]c2cc3C(=O)NC(=Nc3cc2n1)N
SMILES OpenEye OEToolkits 1.5.0 Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N
Canonical SMILES CACTVS 3.341 Cc1[nH]c2cc3C(=O)NC(=Nc3cc2n1)N
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N

IUPAC InChI

InChI=1S/C10H9N5O/c1-4-12-7-2-5-6(3-8(7)13-4)14-10(11)15-9(5)16/h2-3H,1H3,(H,12,13)(H3,11,14,15,16)

IUPAC InChI key

PLJNUNPYZVVIRA-UHFFFAOYSA-N
S60

wwPDB Information

Atom count

25 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-01-31

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned