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

Systemtic Name: 3-cyclopropyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 3-cyclopropyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 3-cyclopropyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 3-cyclopropyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 3-cyclopropyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C18H21N3O4S MolecularWeight: 375.44204

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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)/t15-/m0/s1