N-[(4-methylphenyl)methyl]-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(p-tolylmethyl)propanamide CAS Name: N-[(4-methylphenyl)methyl]-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Traditional Name: 3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methylbenzyl)propionamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c1-15-7-9-16(10-8-15)13-23-20(28)12-11-19-25-21-18(22(29)26-19)14-24-27(21)17-5-3-2-4-6-17/h2-10,14,24H,11-13H2,1H3,(H,23,28)