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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

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