(4R)-4-(2-chloranyl-5-nitro-phenyl)-N,N-diethyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4R)-4-(2-chloranyl-5-nitro-phenyl)-N,N-diethyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4R)-4-(2-chloro-5-nitro-phenyl)-N,N-diethyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4R)-4-(2-chloro-5-nitrophenyl)-N,N-diethyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4R)-4-(2-chloro-5-nitrophenyl)-N,N-diethyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4R)-4-(2-chloro-5-nitro-phenyl)-N,N-diethyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C16H19ClN4O3S MolecularWeight: 382.86506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4O3S/c1-4-20(5-2)15(22)13-9(3)18-16(25)19-14(13)11-8-10(21(23)24)6-7-12(11)17/h6-8,14H,4-5H2,1-3H3,(H2,18,19,25)/t14-/m0/s1