2-octylsulfanyl-6-oxidanyl-1-prop-2-enyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one

Systemtic Name: 2-octylsulfanyl-6-oxidanyl-1-prop-2-enyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Openeye Name: 1-allyl-6-hydroxy-2-octylsulfanyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one CAS Name: 6-hydroxy-2-(octylthio)-1-prop-2-enyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-pyrimidinone IUPAC Name: 6-hydroxy-2-octylsulfanyl-1-prop-2-enyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Traditional Name: 1-allyl-6-hydroxy-2-(octylthio)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Formula: C24H33N3O2S MolecularWeight: 427.60272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=O)C(=C(N1CC=C)O)C2C3=CC=CC=C3CCN2

Isomeric SMILES

CCCCCCCCSC1=NC(=O)C(=C(N1CC=C)O)C2C3=CC=CC=C3CCN2

InChI

InChI=1S/C24H33N3O2S/c1-3-5-6-7-8-11-17-30-24-26-22(28)20(23(29)27(24)16-4-2)21-19-13-10-9-12-18(19)14-15-25-21/h4,9-10,12-13,21,25,29H,2-3,5-8,11,14-17H2,1H3