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

Systemtic Name: 2-[(2-oxidanylidene-1H-pyridin-4-yl)methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-[(2-oxo-1H-pyridin-4-yl)methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one CAS Name: 2-[(2-oxo-1H-pyridin-4-yl)methyl]-5-(8-phenyloctylthio)-1H-pyrimidin-6-one IUPAC Name: 2-[(2-oxo-1H-pyridin-4-yl)methyl]-5-(8-phenyloctylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 2-[(2-keto-1H-pyridin-4-yl)methyl]-5-(8-phenyloctylthio)-1H-pyrimidin-6-one Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCSC2=CN=C(NC2=O)CC3=CC(=O)NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCSC2=CN=C(NC2=O)CC3=CC(=O)NC=C3

InChI

InChI=1S/C24H29N3O2S/c28-23-17-20(13-14-25-23)16-22-26-18-21(24(29)27-22)30-15-9-4-2-1-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-14,17-18H,1-4,6,9-10,15-16H2,(H,25,28)(H,26,27,29)