6-methyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-propyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-propyl-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-5-propyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-5-propyl-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-5-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-6-methyl-5-propyl-1H-pyrimidin-4-one Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=NC1=O)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=C(NC(=NC1=O)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N3O4S/c1-3-5-13-10(2)17-16(18-15(13)21)24-9-14(20)11-6-4-7-12(8-11)19(22)23/h4,6-8H,3,5,9H2,1-2H3,(H,17,18,21)