6-methyl-2-(3-methylbutylsulfanyl)-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-(3-methylbutylsulfanyl)-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methyl]-2-isopentylsulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(3-methylbutylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-(2-hydroxy-5-nitro-benzyl)-2-(isoamylthio)-6-methyl-1H-pyrimidin-4-one Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCC(C)C)CC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCC(C)C)CC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H21N3O4S/c1-10(2)6-7-25-17-18-11(3)14(16(22)19-17)9-12-8-13(20(23)24)4-5-15(12)21/h4-5,8,10,21H,6-7,9H2,1-3H3,(H,18,19,22)