2-[5-ethyl-6-methyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[5-ethyl-6-methyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[5-ethyl-6-methyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[5-ethyl-6-methyl-4-oxo-3-(2-oxolanylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[5-ethyl-6-methyl-4-oxo-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[5-ethyl-4-keto-6-methyl-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)CC4CCCO4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)CC4CCCO4)C

InChI

InChI=1S/C23H27N3O3S2/c1-3-18-15(2)31-21-20(18)22(28)26(13-17-10-7-11-29-17)23(25-21)30-14-19(27)24-12-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-14H2,1-2H3,(H,24,27)