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

Systemtic Name: 6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-2-(tetralin-6-ylmethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-(2-hydroxy-5-nitro-benzyl)-6-methyl-2-(tetralin-6-ylmethylthio)-1H-pyrimidin-4-one Formula: C23H23N3O4S MolecularWeight: 437.51142

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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-])O

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4S/c1-14-20(12-18-11-19(26(29)30)8-9-21(18)27)22(28)25-23(24-14)31-13-15-6-7-16-4-2-3-5-17(16)10-15/h6-11,27H,2-5,12-13H2,1H3,(H,24,25,28)