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

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-(2-methylpropyl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-isobutyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-5-(2-methylpropyl)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-5-(2-methylpropyl)-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-isobutyl-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-6-one Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=C(C(=O)N2)CC(C)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=C(C(=O)N2)CC(C)C)O

InChI

InChI=1S/C16H19N3O4S/c1-9(2)6-13-14(20)17-16(18-15(13)21)24-8-11-7-12(19(22)23)5-4-10(11)3/h4-5,7,9H,6,8H2,1-3H3,(H2,17,18,20,21)