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

Systemtic Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-cyclohexylphenyl)methylthio]-5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-cyclohexylphenyl)methylsulfanyl]-5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-cyclohexylbenzyl)thio]-5-(4-methoxy-3-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C3CCCCC3)CC4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C3CCCCC3)CC4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H29N3O4S/c1-17-22(14-19-10-13-24(33-2)23(15-19)29(31)32)25(30)28-26(27-17)34-16-18-8-11-21(12-9-18)20-6-4-3-5-7-20/h8-13,15,20H,3-7,14,16H2,1-2H3,(H,27,28,30)