2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-ethyl-5-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-ethyl-5-methylpyrimidin-4-olate Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-ethyl-5-methyl-pyrimidin-4-olate Formula: C18H20N3O2S- MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)N2CCC3=CC=CC=C3C2)[O-])C

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)N2CCC3=CC=CC=C3C2)[O-])C

InChI

InChI=1S/C18H21N3O2S/c1-3-15-12(2)17(23)20-18(19-15)24-11-16(22)21-9-8-13-6-4-5-7-14(13)10-21/h4-7H,3,8-11H2,1-2H3,(H,19,20,23)/p-1