(6S)-6-(4-chloranyl-3-nitro-phenyl)-N,N-diethyl-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: (6S)-6-(4-chloranyl-3-nitro-phenyl)-N,N-diethyl-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: (6S)-6-(4-chloro-3-nitro-phenyl)-N,N-diethyl-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: (6S)-6-(4-chloro-3-nitrophenyl)-N,N-diethyl-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: (6S)-6-(4-chloro-3-nitrophenyl)-N,N-diethyl-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: (6S)-6-(4-chloro-3-nitro-phenyl)-N,N-diethyl-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C17H21ClN4O3S MolecularWeight: 396.89164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O3S/c1-5-21(6-2)16(23)14-10(3)20(4)17(26)19-15(14)11-7-8-12(18)13(9-11)22(24)25/h7-9,15H,5-6H2,1-4H3,(H,19,26)/t15-/m0/s1