Chemical Components in the PDB

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N8Y : Summary

Code

N8Y

One-letter code

X

Molecule name

6-methoxyquinazolin-4-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 6-methoxyquinazolin-4-amine

Formula

C9 H9 N3 O

Formal charge

0

Molecular weight

175.187 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc2ncnc(N)c2c1
SMILES OpenEye OEToolkits 1.7.6 COc1ccc2c(c1)c(ncn2)N
Canonical SMILES CACTVS 3.385 COc1ccc2ncnc(N)c2c1
Canonical SMILES OpenEye OEToolkits 1.7.6 COc1ccc2c(c1)c(ncn2)N

IUPAC InChI

InChI=1S/C9H9N3O/c1-13-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3,(H2,10,11,12)

IUPAC InChI key

QVBPHARYACNVKM-UHFFFAOYSA-N
N8Y

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

2015-09-23

Last modified at

2016-09-30

Status

Released

Obsoleted

Not Assigned