5-[(6-methylpyridin-3-yl)methyl]-1-(phenylmethyl)-2-(8-phenyloctylsulfanyl)pyrimidin-4-one

Systemtic Name: 5-[(6-methylpyridin-3-yl)methyl]-1-(phenylmethyl)-2-(8-phenyloctylsulfanyl)pyrimidin-4-one Openeye Name: 1-benzyl-5-[(6-methyl-3-pyridyl)methyl]-2-(8-phenyloctylsulfanyl)pyrimidin-4-one CAS Name: 5-[(6-methyl-3-pyridinyl)methyl]-1-(phenylmethyl)-2-(8-phenyloctylthio)-4-pyrimidinone IUPAC Name: 1-benzyl-5-[(6-methylpyridin-3-yl)methyl]-2-(8-phenyloctylsulfanyl)pyrimidin-4-one Traditional Name: 1-benzyl-5-[(6-methyl-3-pyridyl)methyl]-2-(8-phenyloctylthio)pyrimidin-4-one Formula: C32H37N3OS MolecularWeight: 511.72068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C32H37N3OS/c1-26-19-20-29(23-33-26)22-30-25-35(24-28-17-11-7-12-18-28)32(34-31(30)36)37-21-13-5-3-2-4-8-14-27-15-9-6-10-16-27/h6-7,9-12,15-20,23,25H,2-5,8,13-14,21-22,24H2,1H3