2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1-(2-methylphenyl)-6-oxidanyl-pyrimidin-4-one

Systemtic Name: 2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1-(2-methylphenyl)-6-oxidanyl-pyrimidin-4-one Openeye Name: 2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]sulfanyl-6-hydroxy-1-(o-tolyl)pyrimidin-4-one CAS Name: 2-[[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]thio]-6-hydroxy-1-(2-methylphenyl)-4-pyrimidinone IUPAC Name: 2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanyl-6-hydroxy-1-(2-methylphenyl)pyrimidin-4-one Traditional Name: 2-[[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]thio]-6-hydroxy-1-(o-tolyl)pyrimidin-4-one Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)CSC3=NC(=O)C=C(N3C4=CC=CC=C4C)O)OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CCN1C(=O)CSC3=NC(=O)C=C(N3C4=CC=CC=C4C)O)OC)OC

InChI

InChI=1S/C25H27N3O5S/c1-15-7-5-6-8-19(15)28-23(30)13-22(29)26-25(28)34-14-24(31)27-10-9-17-11-20(32-3)21(33-4)12-18(17)16(27)2/h5-8,11-13,16,30H,9-10,14H2,1-4H3/t16-/m0/s1