6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-5-methyl-3-phenethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5-methyl-3-phenethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Formula: C31H33N3O3S2 MolecularWeight: 559.74202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CCC3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CCC3=CC=CC=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C31H33N3O3S2/c1-20-25-27(39-26(20)29(37)33-16-15-22-12-8-9-13-23(22)18-33)32-30(38-19-24(35)31(2,3)4)34(28(25)36)17-14-21-10-6-5-7-11-21/h5-13H,14-19H2,1-4H3