2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-5-(phenylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-5-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 5-benzyl-2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]thio]-4-hydroxy-5-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 5-benzyl-2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-benzyl-2-[[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)CSC3=NC(=C(C(=O)N3)CC4=CC=CC=C4)O)OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CCN1C(=O)CSC3=NC(=C(C(=O)N3)CC4=CC=CC=C4)O)OC)OC

InChI

InChI=1S/C25H27N3O5S/c1-15-18-13-21(33-3)20(32-2)12-17(18)9-10-28(15)22(29)14-34-25-26-23(30)19(24(31)27-25)11-16-7-5-4-6-8-16/h4-8,12-13,15H,9-11,14H2,1-3H3,(H2,26,27,30,31)/t15-/m0/s1