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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(N=C(NC2=O)SCCC(C)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(N=C(NC2=O)SCCC(C)C)O

InChI

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