ethyl (4R)-6-methyl-4-phenyl-2-prop-2-enylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-methyl-4-phenyl-2-prop-2-enylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (4R)-2-allylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-4-phenyl-2-(prop-2-enylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-methyl-4-phenyl-2-prop-2-enylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: (4R)-2-(allylthio)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC=C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=N[C@@H]1C2=CC=CC=C2)SCC=C)C

InChI

InChI=1S/C17H20N2O2S/c1-4-11-22-17-18-12(3)14(16(20)21-5-2)15(19-17)13-9-7-6-8-10-13/h4,6-10,15H,1,5,11H2,2-3H3,(H,18,19)/t15-/m1/s1