N-[4-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]phenyl]benzamide

Systemtic Name: N-[4-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoyl]phenyl]benzamide Openeye Name: N-[4-[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]phenyl]benzamide CAS Name: N-[4-[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]phenyl]benzamide IUPAC Name: N-[4-[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]phenyl]benzamide Traditional Name: N-[4-[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]phenyl]benzamide Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O3/c1-25-19-17(11-23-25)21(29)26(13-22-19)12-18(27)14-7-9-16(10-8-14)24-20(28)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,24,28)