5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-(tetralin-6-ylmethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-(2-methoxy-5-nitro-benzyl)-6-methyl-2-(tetralin-6-ylmethylthio)-1H-pyrimidin-4-one Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC3=C(CCCC3)C=C2)CC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC3=C(CCCC3)C=C2)CC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C24H25N3O4S/c1-15-21(13-19-12-20(27(29)30)9-10-22(19)31-2)23(28)26-24(25-15)32-14-16-7-8-17-5-3-4-6-18(17)11-16/h7-12H,3-6,13-14H2,1-2H3,(H,25,26,28)