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

Systemtic Name: methyl (6R)-3-[3-(dimethylamino)propyl]-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-[3-(dimethylamino)propyl]-4-methyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-[3-(dimethylamino)propyl]-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-[3-(dimethylamino)propyl]-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-[3-(dimethylamino)propyl]-4-methyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CCCN(C)C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S/c1-12-15(17(23)26-4)16(13-6-8-14(9-7-13)22(24)25)19-18(27)21(12)11-5-10-20(2)3/h6-9,16H,5,10-11H2,1-4H3,(H,19,27)/t16-/m1/s1