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

Systemtic Name: 1-(2,5-dimethoxyphenyl)-6-oxidanyl-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Openeye Name: 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one CAS Name: 1-(2,5-dimethoxyphenyl)-6-hydroxy-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinone IUPAC Name: 1-(2,5-dimethoxyphenyl)-6-hydroxy-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Traditional Name: 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CC[NH2+]3)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=C(C(=O)NC2=S)[C@@H]3C4=CC=CC=C4CC[NH2+]3)O

InChI

InChI=1S/C21H21N3O4S/c1-27-13-7-8-16(28-2)15(11-13)24-20(26)17(19(25)23-21(24)29)18-14-6-4-3-5-12(14)9-10-22-18/h3-8,11,18,22,26H,9-10H2,1-2H3,(H,23,25,29)/p+1/t18-/m0/s1