methyl 3-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-4-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-2-keto-4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(C(NC(=O)N3C4CC4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(C(NC(=O)N3C4CC4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C22H22N6O3S/c1-27-19-15(10-25-27)20(24-12-23-19)32-11-16-17(21(29)31-2)18(13-6-4-3-5-7-13)26-22(30)28(16)14-8-9-14/h3-7,10,12,14,18H,8-9,11H2,1-2H3,(H,26,30)