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

Systemtic Name: 4-[2-[1-(2-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[1-(o-tolyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[1-(2-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[1-(2-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[4-keto-1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]benzamide Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H18N6O3/c1-13-4-2-3-5-17(13)27-20-16(10-24-27)21(30)26(12-23-20)11-18(28)25-15-8-6-14(7-9-15)19(22)29/h2-10,12H,11H2,1H3,(H2,22,29)(H,25,28)