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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-5-ethyl-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-ethyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-5-ethyl-6-methyl-1H-pyrimidin-4-one Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C18H21N3O2S/c1-3-15-12(2)19-18(20-17(15)23)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)