6-oxidanyl-1-(4-propan-2-ylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)pyrimidin-4-one

Systemtic Name: 6-oxidanyl-1-(4-propan-2-ylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)pyrimidin-4-one Openeye Name: 6-hydroxy-1-(4-isopropylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-1-(4-propan-2-ylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-4-pyrimidinone IUPAC Name: 6-hydroxy-1-(4-propan-2-ylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)pyrimidin-4-one Traditional Name: 6-hydroxy-1-p-cumenyl-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-2-thioxo-pyrimidin-4-one Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-13(2)14-7-9-16(10-8-14)25-21(27)18(20(26)24-22(25)28)19-17-6-4-3-5-15(17)11-12-23-19/h3-10,13,19,23,27H,11-12H2,1-2H3,(H,24,26,28)/p+1