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

Systemtic Name: 1-ethyl-2-octylsulfanyl-6-oxidanyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Openeye Name: 1-ethyl-6-hydroxy-2-octylsulfanyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one CAS Name: 1-ethyl-6-hydroxy-2-(octylthio)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-pyrimidinone IUPAC Name: 1-ethyl-6-hydroxy-2-octylsulfanyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Traditional Name: 1-ethyl-6-hydroxy-2-(octylthio)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Formula: C23H33N3O2S MolecularWeight: 415.59202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2S/c1-3-5-6-7-8-11-16-29-23-25-21(27)19(22(28)26(23)4-2)20-18-13-10-9-12-17(18)14-15-24-20/h9-10,12-13,20,24,28H,3-8,11,14-16H2,1-2H3