2-[[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[6-ethyl-4-keto-3-(3-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C25H21N3O4S2 MolecularWeight: 491.58194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SCN4C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SCN4C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C25H21N3O4S2/c1-4-19-14(2)20-21(34-19)26-25(28(24(20)31)15-8-7-9-16(12-15)32-3)33-13-27-22(29)17-10-5-6-11-18(17)23(27)30/h5-12H,4,13H2,1-3H3