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

Systemtic Name: 1-cyclopropyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-cyclopropyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 1-cyclopropyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-cyclopropyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-cyclopropyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=C(N(C(=S)NC3=O)C4CC4)O)OC

Isomeric SMILES

COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=C(N(C(=S)NC3=O)C4CC4)O)OC

InChI

InChI=1S/C18H21N3O4S/c1-24-12-7-9-5-6-19-15(11(9)8-13(12)25-2)14-16(22)20-18(26)21(17(14)23)10-3-4-10/h7-8,10,15,19,23H,3-6H2,1-2H3,(H,20,22,26)/p+1/t15-/m1/s1