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

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[(4-methylphenyl)-phenyl-methyl]propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[phenyl(p-tolyl)methyl]propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[phenyl(p-tolyl)methyl]propionamide Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C23H23N5O2/c1-16-8-10-18(11-9-16)21(17-6-4-3-5-7-17)26-20(29)12-13-28-15-24-22-19(23(28)30)14-25-27(22)2/h3-11,14-15,21H,12-13H2,1-2H3,(H,26,29)