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

Systemtic Name: 2-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-N-(1-phenylethyl)benzamide Openeye Name: 2-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-N-(1-phenylethyl)benzamide CAS Name: 2-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 2-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-N-(1-phenylethyl)benzamide Traditional Name: 2-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-N-(1-phenylethyl)benzamide Formula: C24H24N6O3 MolecularWeight: 444.48576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C24H24N6O3/c1-16(17-8-4-3-5-9-17)27-23(32)18-10-6-7-11-20(18)28-21(31)12-13-30-15-25-22-19(24(30)33)14-26-29(22)2/h3-11,14-16H,12-13H2,1-2H3,(H,27,32)(H,28,31)