6-[(3-bromophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-[(3-bromophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-4-one Openeye Name: 6-[(3-bromophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-4-one CAS Name: 6-[(3-bromophenyl)methyl]-2-[(4-methoxyphenyl)methylthio]-5-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[(3-bromophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-(3-bromobenzyl)-5-methyl-2-(p-anisylthio)-1H-pyrimidin-4-one Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)OC)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)OC)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H19BrN2O2S/c1-13-18(11-15-4-3-5-16(21)10-15)22-20(23-19(13)24)26-12-14-6-8-17(25-2)9-7-14/h3-10H,11-12H2,1-2H3,(H,22,23,24)