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

Systemtic Name: 6-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate Openeye Name: 3-allyl-6-oxo-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate CAS Name: 6-oxo-3-prop-2-enyl-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinolate IUPAC Name: 6-oxo-3-prop-2-enyl-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate Traditional Name: 3-allyl-6-keto-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(C(=O)NC1=S)C2C3=CC=CC=C3CC[NH2+]2)[O-]

Isomeric SMILES

C=CCN1C(=C(C(=O)NC1=S)[C@@H]2C3=CC=CC=C3CC[NH2+]2)[O-]

InChI

InChI=1S/C16H17N3O2S/c1-2-9-19-15(21)12(14(20)18-16(19)22)13-11-6-4-3-5-10(11)7-8-17-13/h2-6,13,17,21H,1,7-9H2,(H,18,20,22)/t13-/m0/s1