3RZ

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

Created:2010-12-07
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count34
Aromatic Bond Count16
2D diagram of 3RZ

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Chemical Component Summary

Name4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide
Systematic Name (OpenEye OEToolkits)4-azanyl-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide
FormulaC13 H12 N6 O
Molecular Weight268.274
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c2c1nc(nc(N)c1ccc2)C)Nc3nncc3
SMILESCACTVS3.370Cc1nc(N)c2cccc(C(=O)Nc3cc[nH]n3)c2n1
SMILESOpenEye OEToolkits1.7.0Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N
Canonical SMILESCACTVS3.370 Cc1nc(N)c2cccc(C(=O)Nc3cc[nH]n3)c2n1
Canonical SMILESOpenEye OEToolkits1.7.0 Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N
InChIInChI1.03 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)
InChIKeyInChI1.03 DMLHUAFVSLGSDJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 49852676