2-[2-[5-ethyl-6-methyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[5-ethyl-6-methyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[5-ethyl-6-methyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[[5-ethyl-6-methyl-4-oxo-3-(2-oxolanylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[5-ethyl-6-methyl-4-oxo-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[5-ethyl-4-keto-6-methyl-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]thiophene-3-carboxamide Formula: C21H24N4O4S3 MolecularWeight: 492.63466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C(=O)N)CC4CCCO4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C(=O)N)CC4CCCO4)C

InChI

InChI=1S/C21H24N4O4S3/c1-3-13-11(2)32-19-16(13)20(28)25(9-12-5-4-7-29-12)21(24-19)31-10-15(26)23-18-14(17(22)27)6-8-30-18/h6,8,12H,3-5,7,9-10H2,1-2H3,(H2,22,27)(H,23,26)