4-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-(1H-benzimidazol-2-ylmethylthio)-4-oxo-3-thieno[3,2-d]pyrimidinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[2-(1H-benzimidazol-2-ylmethylthio)-4-keto-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butyramide Formula: C26H25N5O2S2 MolecularWeight: 503.639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CS3)N=C2SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CS3)N=C2SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H25N5O2S2/c32-23(27-14-12-18-7-2-1-3-8-18)11-6-15-31-25(33)24-21(13-16-34-24)30-26(31)35-17-22-28-19-9-4-5-10-20(19)29-22/h1-5,7-10,13,16H,6,11-12,14-15,17H2,(H,27,32)(H,28,29)