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

Systemtic Name: 1-ethyl-6-oxidanyl-2-sulfanylidene-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Openeye Name: 1-ethyl-6-hydroxy-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one CAS Name: 1-ethyl-6-hydroxy-2-sulfanylidene-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinone IUPAC Name: 1-ethyl-6-hydroxy-2-sulfanylidene-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Traditional Name: 1-ethyl-6-hydroxy-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one Formula: C15H18N3O2S+ MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S/c1-2-18-14(20)11(13(19)17-15(18)21)12-10-6-4-3-5-9(10)7-8-16-12/h3-6,12,16,20H,2,7-8H2,1H3,(H,17,19,21)/p+1/t12-/m1/s1