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

Systemtic Name: 2-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzamide CAS Name: 2-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzamide Formula: C22H20N6O3 MolecularWeight: 416.4326

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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)NCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H20N6O3/c1-27-20-17(12-25-27)22(31)28(14-24-20)13-19(29)26-18-10-6-5-9-16(18)21(30)23-11-15-7-3-2-4-8-15/h2-10,12,14H,11,13H2,1H3,(H,23,30)(H,26,29)