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

Systemtic Name: methyl 3-cyclopropyl-2-oxidanylidene-6-phenyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-cyclopropyl-2-oxo-6-phenyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-2-oxo-6-phenyl-4-[(4-thieno[2,3-d]pyrimidinylthio)methyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-2-oxo-6-phenyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-2-keto-6-phenyl-4-[(thieno[2,3-d]pyrimidin-4-ylthio)methyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=NC=NC5=C4C=CS5

Isomeric SMILES

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=NC=NC5=C4C=CS5

InChI

InChI=1S/C22H20N4O3S2/c1-29-21(27)17-16(11-31-20-15-9-10-30-19(15)23-12-24-20)26(14-7-8-14)22(28)25-18(17)13-5-3-2-4-6-13/h2-6,9-10,12,14,18H,7-8,11H2,1H3,(H,25,28)