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

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-[(4-methoxyphenyl)methyl]-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5-[(4-methoxyphenyl)methyl]-6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 5-[(4-methoxyphenyl)methyl]-6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-5-p-anisyl-1H-pyrimidin-4-one Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O4S/c1-13-4-7-17(24(26)27)11-16(13)12-29-21-22-14(2)19(20(25)23-21)10-15-5-8-18(28-3)9-6-15/h4-9,11H,10,12H2,1-3H3,(H,22,23,25)