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

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(4-methoxy-3-nitro-phenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(4-methoxy-3-nitro-benzyl)-2-[(4-methoxy-3-nitro-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C21H20N4O7S MolecularWeight: 472.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O7S/c1-12-15(8-13-4-6-18(31-2)16(9-13)24(27)28)20(26)23-21(22-12)33-11-14-5-7-19(32-3)17(10-14)25(29)30/h4-7,9-10H,8,11H2,1-3H3,(H,22,23,26)