methyl (6R)-3-[3-(dimethylamino)propyl]-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-[3-(dimethylamino)propyl]-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-[3-(dimethylamino)propyl]-6-(4-methoxycarbonylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-[3-(dimethylamino)propyl]-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-[3-(dimethylamino)propyl]-6-(4-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(4-carbomethoxyphenyl)-3-[3-(dimethylamino)propyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CCCN(C)C)C2=CC=C(C=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1CCCN(C)C)C2=CC=C(C=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H27N3O4S/c1-13-16(19(25)27-5)17(14-7-9-15(10-8-14)18(24)26-4)21-20(28)23(13)12-6-11-22(2)3/h7-10,17H,6,11-12H2,1-5H3,(H,21,28)/t17-/m1/s1