ethyl (4R)-4-[4-(dimethylamino)-3-nitro-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-[4-(dimethylamino)-3-nitro-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-[4-(dimethylamino)-3-nitro-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[4-(dimethylamino)-3-nitrophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-[4-(dimethylamino)-3-nitrophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[4-(dimethylamino)-3-nitro-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4S/c1-5-24-15(21)13-9(2)17-16(25)18-14(13)10-6-7-11(19(3)4)12(8-10)20(22)23/h6-8,14H,5H2,1-4H3,(H2,17,18,25)/t14-/m1/s1