6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(2-hydroxy-5-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H17N3O4S/c1-12-16(10-14-9-15(22(25)26)7-8-17(14)23)18(24)21-19(20-12)27-11-13-5-3-2-4-6-13/h2-9,23H,10-11H2,1H3,(H,20,21,24)