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

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-isobutylsulfanyl-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-2-(2-methylpropylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 2-(isobutylthio)-5-(4-methoxy-3-nitro-benzyl)-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)SCC(C)C)CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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