2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-5-propyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-5-propyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-hydroxy-5-propyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-4-hydroxy-5-propyl-1H-pyrimidin-6-one Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(NC1=O)SCC(=O)N2CCC3=CC=CC=C3C2)O

Isomeric SMILES

CCCC1=C(N=C(NC1=O)SCC(=O)N2CCC3=CC=CC=C3C2)O

InChI

InChI=1S/C18H21N3O3S/c1-2-5-14-16(23)19-18(20-17(14)24)25-11-15(22)21-9-8-12-6-3-4-7-13(12)10-21/h3-4,6-7H,2,5,8-11H2,1H3,(H2,19,20,23,24)