4-(4-methylphenyl)sulfanyl-5-nitro-1H-pyrimidin-6-one

Systemtic Name: 4-(4-methylphenyl)sulfanyl-5-nitro-1H-pyrimidin-6-one Openeye Name: 5-nitro-4-(p-tolylsulfanyl)-1H-pyrimidin-6-one CAS Name: 4-[(4-methylphenyl)thio]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-(4-methylphenyl)sulfanyl-5-nitro-1H-pyrimidin-6-one Traditional Name: 5-nitro-4-(p-tolylthio)-1H-pyrimidin-6-one Formula: C11H9N3O3S MolecularWeight: 263.27246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)NC=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O3S/c1-7-2-4-8(5-3-7)18-11-9(14(16)17)10(15)12-6-13-11/h2-6H,1H3,(H,12,13,15)