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

Systemtic Name: 2-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-N-phenethyl-benzamide CAS Name: 2-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-N-phenethylbenzamide Traditional Name: 2-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-N-phenethyl-benzamide Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O3/c1-28-21-18(13-26-28)23(32)29(15-25-21)14-20(30)27-19-10-6-5-9-17(19)22(31)24-12-11-16-7-3-2-4-8-16/h2-10,13,15H,11-12,14H2,1H3,(H,24,31)(H,27,30)