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

Systemtic Name: methyl 3-cyclopropyl-2-oxidanylidene-6-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-cyclopropyl-2-oxo-6-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-2-oxo-6-phenyl-4-[(2-pyrimidinylthio)methyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-2-oxo-6-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-2-keto-6-phenyl-4-[(2-pyrimidylthio)methyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=NC=CC=N4

Isomeric SMILES

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=NC=CC=N4

InChI

InChI=1S/C20H20N4O3S/c1-27-18(25)16-15(12-28-19-21-10-5-11-22-19)24(14-8-9-14)20(26)23-17(16)13-6-3-2-4-7-13/h2-7,10-11,14,17H,8-9,12H2,1H3,(H,23,26)