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

Systemtic Name: 5-(3-methylbutyl)-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-isopentyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-(3-methylbutyl)-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-(3-methylbutyl)-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-isoamyl-2-[(2-methyl-5-nitro-benzyl)thio]-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-])CSC2=NC(=C(C(=O)N2)CCC(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-10(2)4-7-14-15(21)18-17(19-16(14)22)25-9-12-8-13(20(23)24)6-5-11(12)3/h5-6,8,10H,4,7,9H2,1-3H3,(H2,18,19,21,22)