(2R)-N-(2-chloranyl-5-nitro-phenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-nitro-phenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propionamide Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S[C@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN4O4S/c1-3-4-10-7-14(22)20-16(18-10)26-9(2)15(23)19-13-8-11(21(24)25)5-6-12(13)17/h5-9H,3-4H2,1-2H3,(H,19,23)(H,18,20,22)/t9-/m1/s1