6-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenethyl-hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenethyl-hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenethyl-hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenethylhexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenethylhexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenethyl-hexanamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=S

InChI

InChI=1S/C20H23N3O2S2/c24-17(21-12-10-15-7-3-1-4-8-15)9-5-2-6-13-23-19(25)18-16(11-14-27-18)22-20(23)26/h1,3-4,7-8,11,14H,2,5-6,9-10,12-13H2,(H,21,24)(H,22,26)