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

Systemtic Name: 2-(5-methyl-4-oxidanylidene-3-phenethyl-6-pyrrolidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanenitrile Openeye Name: 2-[5-methyl-4-oxo-3-phenethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[5-methyl-4-oxo-6-[oxo(1-pyrrolidinyl)methyl]-3-phenethyl-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[5-methyl-4-oxo-3-phenethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-5-methyl-3-phenethyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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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)N4CCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)CCC3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H22N4O2S2/c1-15-17-19(30-18(15)21(28)25-11-5-6-12-25)24-22(29-14-10-23)26(20(17)27)13-9-16-7-3-2-4-8-16/h2-4,7-8H,5-6,9,11-14H2,1H3