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

Systemtic Name: ethyl 2-oxidanylidene-4-phenyl-6-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-4-phenyl-6-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-4-phenyl-6-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-phenyl-6-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-phenyl-6-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H22N6O3S MolecularWeight: 486.54558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C25H22N6O3S/c1-2-34-24(32)20-19(29-25(33)30-21(20)16-9-5-3-6-10-16)14-35-23-18-13-28-31(22(18)26-15-27-23)17-11-7-4-8-12-17/h3-13,15,21H,2,14H2,1H3,(H2,29,30,33)