N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C20H21N7O2 MolecularWeight: 391.42644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C20H21N7O2/c1-13-18(14(2)27(24-13)15-7-5-4-6-8-15)23-17(28)9-10-26-12-21-19-16(20(26)29)11-22-25(19)3/h4-8,11-12H,9-10H2,1-3H3,(H,23,28)