2-(8-phenyloctylsulfanyl)-5-(quinolin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-(8-phenyloctylsulfanyl)-5-(quinolin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-(8-phenyloctylsulfanyl)-5-(3-quinolylmethyl)-1H-pyrimidin-6-one CAS Name: 2-(8-phenyloctylthio)-5-(3-quinolinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-(8-phenyloctylsulfanyl)-5-(quinolin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-(8-phenyloctylthio)-5-(3-quinolylmethyl)-1H-pyrimidin-6-one Formula: C28H31N3OS MolecularWeight: 457.63024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCSC2=NC=C(C(=O)N2)CC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCSC2=NC=C(C(=O)N2)CC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C28H31N3OS/c32-27-25(19-23-18-24-15-9-10-16-26(24)29-20-23)21-30-28(31-27)33-17-11-4-2-1-3-6-12-22-13-7-5-8-14-22/h5,7-10,13-16,18,20-21H,1-4,6,11-12,17,19H2,(H,30,31,32)