Chemical Components in the PDB

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3RZ : Summary

Code

3RZ

One-letter code

X

Molecule name

4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide
OpenEye OEToolkits 1.7.0 4-azanyl-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide

Formula

C13 H12 N6 O

Formal charge

0

Molecular weight

268.274 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c2c1nc(nc(N)c1ccc2)C)Nc3nncc3
SMILES CACTVS 3.370 Cc1nc(N)c2cccc(C(=O)Nc3cc[nH]n3)c2n1
SMILES OpenEye OEToolkits 1.7.0 Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N
Canonical SMILES CACTVS 3.370 Cc1nc(N)c2cccc(C(=O)Nc3cc[nH]n3)c2n1
Canonical SMILES OpenEye OEToolkits 1.7.0 Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N

IUPAC InChI

InChI=1S/C13H12N6O/c1-7-16-11-8(12(14)17-7)3-2-4-9(11)13(20)18-10-5-6-15-19-10/h2-6H,1H3,(H2,14,16,17)(H2,15,18,19,20)

IUPAC InChI key

DMLHUAFVSLGSDJ-UHFFFAOYSA-N
3RZ

wwPDB Information

Atom count

32 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-12-07

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned