5-[(2-methoxypyridin-4-yl)methyl]-1-(phenylmethyl)-2-(8-phenyloctylsulfanyl)pyrimidin-4-one

Systemtic Name: 5-[(2-methoxypyridin-4-yl)methyl]-1-(phenylmethyl)-2-(8-phenyloctylsulfanyl)pyrimidin-4-one Openeye Name: 1-benzyl-5-[(2-methoxy-4-pyridyl)methyl]-2-(8-phenyloctylsulfanyl)pyrimidin-4-one CAS Name: 5-[(2-methoxy-4-pyridinyl)methyl]-1-(phenylmethyl)-2-(8-phenyloctylthio)-4-pyrimidinone IUPAC Name: 1-benzyl-5-[(2-methoxypyridin-4-yl)methyl]-2-(8-phenyloctylsulfanyl)pyrimidin-4-one Traditional Name: 1-benzyl-5-[(2-methoxy-4-pyridyl)methyl]-2-(8-phenyloctylthio)pyrimidin-4-one Formula: C32H37N3O2S MolecularWeight: 527.72008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=NC=CC(=C1)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C32H37N3O2S/c1-37-30-23-28(19-20-33-30)22-29-25-35(24-27-17-11-7-12-18-27)32(34-31(29)36)38-21-13-5-3-2-4-8-14-26-15-9-6-10-16-26/h6-7,9-12,15-20,23,25H,2-5,8,13-14,21-22,24H2,1H3