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

Systemtic Name: ethyl 2-oxidanylidene-6-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-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-6-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H18N6O3S/c1-2-28-18(26)13-8-20-19(27)24-15(13)10-29-17-14-9-23-25(16(14)21-11-22-17)12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H2,20,24,27)