3-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2-dihydropyrimidin-6-one

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2-dihydropyrimidin-6-one Openeye Name: 4-hydroxy-5-[(4-isopropoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylsulfanyl]-1,2-dihydropyrimidin-6-one CAS Name: 4-hydroxy-3-[(4-methoxyphenyl)methylthio]-5-[(4-propan-2-yloxyphenyl)methyl]-1,2-dihydropyrimidin-6-one IUPAC Name: 4-hydroxy-3-[(4-methoxyphenyl)methylsulfanyl]-5-[(4-propan-2-yloxyphenyl)methyl]-1,2-dihydropyrimidin-6-one Traditional Name: 4-hydroxy-5-(4-isopropoxybenzyl)-3-(p-anisylthio)-1,2-dihydropyrimidin-6-one Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CC2=C(N(CNC2=O)SCC3=CC=C(C=C3)OC)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CC2=C(N(CNC2=O)SCC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C22H26N2O4S/c1-15(2)28-19-10-4-16(5-11-19)12-20-21(25)23-14-24(22(20)26)29-13-17-6-8-18(27-3)9-7-17/h4-11,15,26H,12-14H2,1-3H3,(H,23,25)