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

Systemtic Name: 6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-(2-methylprop-2-enyl)-1H-pyrimidin-4-one Openeye Name: 6-methyl-5-(2-methylallyl)-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-5-(2-methylprop-2-enyl)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-5-(2-methylprop-2-enyl)-1H-pyrimidin-4-one Traditional Name: 6-methyl-5-(2-methylallyl)-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-4-one Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-10(2)7-15-12(4)18-17(19-16(15)21)24-9-13-8-14(20(22)23)6-5-11(13)3/h5-6,8H,1,7,9H2,2-4H3,(H,18,19,21)