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

Systemtic Name: methyl 4-[2-[1-(2-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(o-tolyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-(2-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(2-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H19N5O4 MolecularWeight: 417.41736

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O4/c1-14-5-3-4-6-18(14)27-20-17(11-24-27)21(29)26(13-23-20)12-19(28)25-16-9-7-15(8-10-16)22(30)31-2/h3-11,13H,12H2,1-2H3,(H,25,28)