Chemical Components in the PDB

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2WU : Summary

Code

2WU

One-letter code

X

Molecule name

6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

Systematic names

ProgramVersionName
ACDLabs 12.01 6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
OpenEye OEToolkits 1.7.6 6-azanyl-2-(methylamino)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one

Formula

C10 H10 N6 O

Formal charge

0

Molecular weight

230.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C2c3cc1nc(NC)nc1cc3N=C(N)N2
SMILES CACTVS 3.385 CNc1[nH]c2cc3N=C(N)NC(=O)c3cc2n1
SMILES OpenEye OEToolkits 1.7.6 CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N
Canonical SMILES CACTVS 3.385 CNc1[nH]c2cc3N=C(N)NC(=O)c3cc2n1
Canonical SMILES OpenEye OEToolkits 1.7.6 CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N

IUPAC InChI

InChI=1S/C10H10N6O/c1-12-10-14-6-2-4-5(3-7(6)15-10)13-9(11)16-8(4)17/h2-3H,1H3,(H2,12,14,15)(H3,11,13,16,17)

IUPAC InChI key

MRAWGMPHZYODAJ-UHFFFAOYSA-N
2WU

wwPDB Information

Atom count

27 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-03-21

Last modified at

2014-07-11

Status

Released

Obsoleted

Not Assigned