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

Systemtic Name: 6-methyl-2-[(5-nitro-2-oxidanyl-phenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(2-hydroxy-5-nitro-phenyl)methylsulfanyl]-6-methyl-5-(tetralin-6-ylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[(2-hydroxy-5-nitrophenyl)methylthio]-6-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]-6-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(2-hydroxy-5-nitro-benzyl)thio]-6-methyl-5-(tetralin-6-ylmethyl)-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=C(C=CC(=C2)[N+](=O)[O-])O)CC3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=C(C=CC(=C2)[N+](=O)[O-])O)CC3=CC4=C(CCCC4)C=C3

InChI

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