2-[[6-ethyl-3-(furan-2-ylmethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[6-ethyl-3-(furan-2-ylmethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[6-ethyl-3-(2-furylmethyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[6-ethyl-3-(2-furanylmethyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[6-ethyl-3-(2-furfuryl)-4-keto-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C22H17N3O4S2 MolecularWeight: 451.51808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H17N3O4S2/c1-2-14-10-17-18(31-14)23-22(24(21(17)28)11-13-6-5-9-29-13)30-12-25-19(26)15-7-3-4-8-16(15)20(25)27/h3-10H,2,11-12H2,1H3