2-[6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[6-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-5-methyl-4-oxo-3-phenethyl-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C27H24N4O2S2 MolecularWeight: 500.63506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O2S2/c1-18-22-24(35-23(18)26(33)30-14-12-20-9-5-6-10-21(20)17-30)29-27(34-16-13-28)31(25(22)32)15-11-19-7-3-2-4-8-19/h2-10H,11-12,14-17H2,1H3