5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-(2-methoxyphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-(2-methoxyphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-(2-methoxyphenyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-(2-methoxyphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-(2-methoxyphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-keto-3-(2-methoxyphenyl)-2-thioxo-pyrimidin-4-olate Formula: C22H23N3O5S MolecularWeight: 441.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=C(C(=O)NC2=S)C3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C(=C(C(=O)NC2=S)[C@@H]3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)[O-]

InChI

InChI=1S/C22H23N3O5S/c1-28-15-7-5-4-6-14(15)25-21(27)18(20(26)24-22(25)31)19-13-11-17(30-3)16(29-2)10-12(13)8-9-23-19/h4-7,10-11,19,23,27H,8-9H2,1-3H3,(H,24,26,31)/t19-/m0/s1