N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-N-methyl-3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)-N-methyl-propionamide Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CCC(=O)N(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CCC(=O)N(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN4O4S/c1-9-12(15(23)19-16(26)18-9)4-6-14(22)20(2)8-10-7-11(21(24)25)3-5-13(10)17/h3,5,7H,4,6,8H2,1-2H3,(H2,18,19,23,26)