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

Systemtic Name: 3-hexyl-6-oxidanylidene-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate Openeye Name: 3-hexyl-6-oxo-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate CAS Name: 3-hexyl-6-oxo-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinolate IUPAC Name: 3-hexyl-6-oxo-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate Traditional Name: 3-hexyl-6-keto-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C(=O)NC1=S)C2C3=CC=CC=C3CC[NH2+]2)[O-]

Isomeric SMILES

CCCCCCN1C(=C(C(=O)NC1=S)[C@@H]2C3=CC=CC=C3CC[NH2+]2)[O-]

InChI

InChI=1S/C19H25N3O2S/c1-2-3-4-7-12-22-18(24)15(17(23)21-19(22)25)16-14-9-6-5-8-13(14)10-11-20-16/h5-6,8-9,16,20,24H,2-4,7,10-12H2,1H3,(H,21,23,25)/t16-/m0/s1