(6R)-N,N-diethyl-3,4-dimethyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: (6R)-N,N-diethyl-3,4-dimethyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: (6R)-N,N-diethyl-3,4-dimethyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: (6R)-N,N-diethyl-3,4-dimethyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: (6R)-N,N-diethyl-3,4-dimethyl-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: (6R)-N,N-diethyl-3,4-dimethyl-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-5-20(6-2)16(22)14-11(3)19(4)17(25)18-15(14)12-8-7-9-13(10-12)21(23)24/h7-10,15H,5-6H2,1-4H3,(H,18,25)/t15-/m1/s1