2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1-(2-methoxyphenyl)-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-methoxyphenyl)-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-(2-methoxyphenyl)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-methoxyphenyl)-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-methoxyphenyl)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-(2-methoxyphenyl)pyrimidin-4-one Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)CSC3=NC(=O)C=C(N3C4=CC=CC=C4OC)O)OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CCN1C(=O)CSC3=NC(=O)C=C(N3C4=CC=CC=C4OC)O)OC)OC

InChI

InChI=1S/C25H27N3O6S/c1-15-17-12-21(34-4)20(33-3)11-16(17)9-10-27(15)24(31)14-35-25-26-22(29)13-23(30)28(25)18-7-5-6-8-19(18)32-2/h5-8,11-13,15,30H,9-10,14H2,1-4H3/t15-/m0/s1