2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]sulfanyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]thio]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]thio]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one Formula: C20H25N3O5S MolecularWeight: 419.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SCC(=O)N2CCC3=CC(=C(C=C3C2C)OC)OC)O

Isomeric SMILES

CCC1=C(N=C(NC1=O)SCC(=O)N2CCC3=CC(=C(C=C3[C@@H]2C)OC)OC)O

InChI

InChI=1S/C20H25N3O5S/c1-5-13-18(25)21-20(22-19(13)26)29-10-17(24)23-7-6-12-8-15(27-3)16(28-4)9-14(12)11(23)2/h8-9,11H,5-7,10H2,1-4H3,(H2,21,22,25,26)/t11-/m0/s1