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

Systemtic Name: ethyl 2-[1-(2-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[1-(o-tolyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-3-oxo-butanoate CAS Name: 2-[1-(2-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-3-oxobutanoate Traditional Name: 3-keto-2-[4-keto-1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]butyric acid ethyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)N1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C(C(=O)C)N1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3C

InChI

InChI=1S/C18H18N4O4/c1-4-26-18(25)15(12(3)23)21-10-19-16-13(17(21)24)9-20-22(16)14-8-6-5-7-11(14)2/h5-10,15H,4H2,1-3H3