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

Systemtic Name: 1,3-diethyl-6-oxidanyl-2-sulfanylidene-5-[2-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]ethanoyl]pyrimidin-4-one Openeye Name: 1,3-diethyl-6-hydroxy-5-[2-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetyl]-2-thioxo-pyrimidin-4-one CAS Name: 1,3-diethyl-6-hydroxy-5-[1-oxo-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]ethyl]-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1,3-diethyl-6-hydroxy-2-sulfanylidene-5-[2-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetyl]pyrimidin-4-one Traditional Name: 1,3-diethyl-6-hydroxy-5-[2-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetyl]-2-thioxo-pyrimidin-4-one Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N(C1=S)CC)C(=O)CC2C3=CC=CC=C3CC[NH2+]2)O

Isomeric SMILES

CCN1C(=C(C(=O)N(C1=S)CC)C(=O)C[C@@H]2C3=CC=CC=C3CC[NH2+]2)O

InChI

InChI=1S/C19H23N3O3S/c1-3-21-17(24)16(18(25)22(4-2)19(21)26)15(23)11-14-13-8-6-5-7-12(13)9-10-20-14/h5-8,14,20,24H,3-4,9-11H2,1-2H3/p+1/t14-/m1/s1