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

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-(4-methoxy-3-nitro-benzyl)-6-methyl-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-4-one Formula: C20H18N4O6S MolecularWeight: 442.44512

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H18N4O6S/c1-12-16(9-14-5-8-18(30-2)17(10-14)24(28)29)19(25)22-20(21-12)31-11-13-3-6-15(7-4-13)23(26)27/h3-8,10H,9,11H2,1-2H3,(H,21,22,25)