N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(9,10-dioxo-1-anthryl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(9,10-diketo-1-anthryl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C22H13N3O3S2 MolecularWeight: 431.48692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CSC4=NC=NC5=C4C=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CSC4=NC=NC5=C4C=CS5

InChI

InChI=1S/C22H13N3O3S2/c26-17(10-30-22-15-8-9-29-21(15)23-11-24-22)25-16-7-3-6-14-18(16)20(28)13-5-2-1-4-12(13)19(14)27/h1-9,11H,10H2,(H,25,26)