ethyl 4-[6-methyl-1-(2-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate

Systemtic Name: ethyl 4-[6-methyl-1-(2-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate Openeye Name: ethyl 4-[6-methyl-1-(o-tolyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]benzoate CAS Name: 4-[6-methyl-1-(2-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-methyl-1-(2-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]benzoate Traditional Name: 4-[4-keto-6-methyl-1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]benzoic acid ethyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4C)C

InChI

InChI=1S/C22H20N4O3/c1-4-29-22(28)16-9-11-17(12-10-16)25-15(3)24-20-18(21(25)27)13-23-26(20)19-8-6-5-7-14(19)2/h5-13H,4H2,1-3H3