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V0Z

Summary
Name:N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
Synonyms:~{N}-(4-aminophenyl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-aminophenyl)-7-methyl-2-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
Formula:C14 H13 N5 O2
Formal charge:0
Formula weight:283.285 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(4-aminophenyl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H13N5O2/c1-8-11(7-16-12-6-13(20)18-19(8)12)14(21)17-10-4-2-9(15)3-5-10/h2-7H,15H2,1H3,(H,17,21)(H,18,20)
InChIKeyInChI1.03DTFXMPJTNSKHJT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=C(C=NC2=CC(=O)NN12)C(=O)Nc3ccc(N)cc3
SMILESCACTVS3.385CC1=C(C=NC2=CC(=O)NN12)C(=O)Nc3ccc(N)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1=C(C=NC2=CC(=O)NN12)C(=O)Nc3ccc(cc3)N
SMILESOpenEye OEToolkits2.0.7CC1=C(C=NC2=CC(=O)NN12)C(=O)Nc3ccc(cc3)N

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PDB entries from 2024-07-17

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