ethyl 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C20H20N6O3S/c1-3-29-19(27)15-14(24-20(28)25-16(15)12-7-5-4-6-8-12)10-30-18-13-9-23-26(2)17(13)21-11-22-18/h4-9,11,16H,3,10H2,1-2H3,(H2,24,25,28)