Chemical Components in the PDB

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MAQ : Summary

Code

MAQ

One-letter code

X

Molecule name

2-AMINO-8-METHYLQUINAZOLIN-4(3H)-ONE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-amino-8-methylquinazolin-4(1H)-one
OpenEye OEToolkits 1.5.0 2-amino-8-methyl-1H-quinazolin-4-one

Formula

C9 H9 N3 O

Formal charge

0

Molecular weight

175.187 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2N=C(Nc1c2cccc1C)N
SMILES CACTVS 3.341 Cc1cccc2C(=O)N=C(N)Nc12
SMILES OpenEye OEToolkits 1.5.0 Cc1cccc2c1NC(=NC2=O)N
Canonical SMILES CACTVS 3.341 Cc1cccc2C(=O)N=C(N)Nc12
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1cccc2c1NC(=NC2=O)N

IUPAC InChI

InChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13)

IUPAC InChI key

NLLZAHIPYDRNRQ-UHFFFAOYSA-N
MAQ

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-01-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned