2-[(1,2-dimethyl-2H-pyridin-4-yl)methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[(1,2-dimethyl-2H-pyridin-4-yl)methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-[(1,2-dimethyl-2H-pyridin-4-yl)methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one CAS Name: 2-[(1,2-dimethyl-2H-pyridin-4-yl)methyl]-5-(8-phenyloctylthio)-1H-pyrimidin-6-one IUPAC Name: 2-[(1,2-dimethyl-2H-pyridin-4-yl)methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 2-[(1,2-dimethyl-2H-pyridin-4-yl)methyl]-5-(8-phenyloctylthio)-1H-pyrimidin-6-one Formula: C26H35N3OS MolecularWeight: 437.6406

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=CN1C)CC2=NC=C(C(=O)N2)SCCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CC1C=C(C=CN1C)CC2=NC=C(C(=O)N2)SCCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C26H35N3OS/c1-21-18-23(15-16-29(21)2)19-25-27-20-24(26(30)28-25)31-17-11-6-4-3-5-8-12-22-13-9-7-10-14-22/h7,9-10,13-16,18,20-21H,3-6,8,11-12,17,19H2,1-2H3,(H,27,28,30)