methyl (6R)-3-(2-diethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-(2-diethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(2-diethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(2-diethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(2-diethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(2-diethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCN(CC)CCN1C(=C([C@H](NC1=S)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C19H26N4O4S/c1-5-21(6-2)10-11-22-13(3)16(18(24)27-4)17(20-19(22)28)14-8-7-9-15(12-14)23(25)26/h7-9,12,17H,5-6,10-11H2,1-4H3,(H,20,28)/t17-/m1/s1