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

Systemtic Name: 2-[4-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(6-methyl-4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(6-methyl-4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-keto-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C31H25N3O3S2 MolecularWeight: 551.6785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCCCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCCCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

InChI

InChI=1S/C31H25N3O3S2/c1-20-25(21-12-4-2-5-13-21)26-27(39-20)32-31(34(30(26)37)22-14-6-3-7-15-22)38-19-11-10-18-33-28(35)23-16-8-9-17-24(23)29(33)36/h2-9,12-17H,10-11,18-19H2,1H3