6-oxidanyl-1-prop-2-enyl-2-sulfanylidene-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one

Systemtic Name: 6-oxidanyl-1-prop-2-enyl-2-sulfanylidene-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Openeye Name: 1-allyl-6-hydroxy-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-1-prop-2-enyl-2-sulfanylidene-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinone IUPAC Name: 6-hydroxy-1-prop-2-enyl-2-sulfanylidene-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Traditional Name: 1-allyl-6-hydroxy-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one Formula: C16H18N3O2S+ MolecularWeight: 316.39802

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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)/p+1/t13-/m1/s1