3-methyl-2-[2-(4-nitrophenyl)ethylsulfanyl]pyrimidin-4-one

Systemtic Name: 3-methyl-2-[2-(4-nitrophenyl)ethylsulfanyl]pyrimidin-4-one Openeye Name: 3-methyl-2-[2-(4-nitrophenyl)ethylsulfanyl]pyrimidin-4-one CAS Name: 3-methyl-2-[2-(4-nitrophenyl)ethylthio]-4-pyrimidinone IUPAC Name: 3-methyl-2-[2-(4-nitrophenyl)ethylsulfanyl]pyrimidin-4-one Traditional Name: 3-methyl-2-[2-(4-nitrophenyl)ethylthio]pyrimidin-4-one Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CN=C1SCCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C=CN=C1SCCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c1-15-12(17)6-8-14-13(15)20-9-7-10-2-4-11(5-3-10)16(18)19/h2-6,8H,7,9H2,1H3