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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H24N6O3/c1-29-22-19(15-27-29)24(33)30(16-26-22)14-12-21(31)28-20-10-6-5-9-18(20)23(32)25-13-11-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,25,32)(H,28,31)