2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-5-propan-2-yl-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-propan-2-yl-1H-pyrimidin-6-one Openeye Name: 2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]sulfanyl-4-hydroxy-5-isopropyl-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-propan-2-yl-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one Traditional Name: 2-[[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]thio]-4-hydroxy-5-isopropyl-1H-pyrimidin-6-one Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-11(2)18-19(26)22-21(23-20(18)27)30-10-17(25)24-7-6-13-8-15(28-4)16(29-5)9-14(13)12(24)3/h8-9,11-12H,6-7,10H2,1-5H3,(H2,22,23,26,27)/t12-/m0/s1