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

Systemtic Name: 1-cyclohexyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-cyclohexyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 1-cyclohexyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-cyclohexyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-cyclohexyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=C(N(C(=S)NC3=O)C4CCCCC4)O)OC

Isomeric SMILES

COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=C(N(C(=S)NC3=O)C4CCCCC4)O)OC

InChI

InChI=1S/C21H27N3O4S/c1-27-15-10-12-8-9-22-18(14(12)11-16(15)28-2)17-19(25)23-21(29)24(20(17)26)13-6-4-3-5-7-13/h10-11,13,18,22,26H,3-9H2,1-2H3,(H,23,25,29)/p+1/t18-/m1/s1