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

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-(2-methoxy-5-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=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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