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

Systemtic Name: 1,3-bis(4-methoxyphenyl)-6-oxidanylidene-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)pyrimidin-4-olate Openeye Name: 1,3-bis(4-methoxyphenyl)-6-oxo-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-2-thioxo-pyrimidin-4-olate CAS Name: 1,3-bis(4-methoxyphenyl)-6-oxo-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-4-pyrimidinolate IUPAC Name: 1,3-bis(4-methoxyphenyl)-6-oxo-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)pyrimidin-4-olate Traditional Name: 6-keto-1,3-bis(4-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-2-thioxo-pyrimidin-4-olate Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C(=O)N(C2=S)C3=CC=C(C=C3)OC)C4C5=CC=CC=C5CC[NH2+]4)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C(=O)N(C2=S)C3=CC=C(C=C3)OC)C4C5=CC=CC=C5CC[NH2+]4)[O-]

InChI

InChI=1S/C27H25N3O4S/c1-33-20-11-7-18(8-12-20)29-25(31)23(24-22-6-4-3-5-17(22)15-16-28-24)26(32)30(27(29)35)19-9-13-21(34-2)14-10-19/h3-14,24,28,31H,15-16H2,1-2H3