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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-5-(2-methyl-5-nitro-benzyl)-2-(p-anisylthio)-1H-pyrimidin-4-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H21N3O4S/c1-13-4-7-17(24(26)27)10-16(13)11-19-14(2)22-21(23-20(19)25)29-12-15-5-8-18(28-3)9-6-15/h4-10H,11-12H2,1-3H3,(H,22,23,25)