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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H17N3O2S/c1-11-8-14(20)18-16(17-11)22-10-15(21)19-7-6-12-4-2-3-5-13(12)9-19/h2-5,8H,6-7,9-10H2,1H3,(H,17,18,20)