1-butyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-butyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-butyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 1-butyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-butyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-butyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C19H26N3O4S+ MolecularWeight: 392.49244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=S)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)O

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=S)[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)O

InChI

InChI=1S/C19H25N3O4S/c1-4-5-8-22-18(24)15(17(23)21-19(22)27)16-12-10-14(26-3)13(25-2)9-11(12)6-7-20-16/h9-10,16,20,24H,4-8H2,1-3H3,(H,21,23,27)/p+1/t16-/m0/s1