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

Systemtic Name: 6-oxidanylidene-3-(4-propan-2-ylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)pyrimidin-4-olate Openeye Name: 3-(4-isopropylphenyl)-6-oxo-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-2-thioxo-pyrimidin-4-olate CAS Name: 6-oxo-3-(4-propan-2-ylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-4-pyrimidinolate IUPAC Name: 6-oxo-3-(4-propan-2-ylphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)pyrimidin-4-olate Traditional Name: 6-keto-3-p-cumenyl-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-2-thioxo-pyrimidin-4-olate Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

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)