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

Systemtic Name: 5-ethyl-6-methyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 5-ethyl-6-methyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 5-ethyl-6-methyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 5-ethyl-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H15N3O4S/c1-3-12-9(2)16-15(17-14(12)20)23-8-13(19)10-4-6-11(7-5-10)18(21)22/h4-7H,3,8H2,1-2H3,(H,16,17,20)