4-[4-oxidanylidene-2-(phenylmethylsulfanyl)thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[4-oxidanylidene-2-(phenylmethylsulfanyl)thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-(2-benzylsulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl)-N-phenethyl-butanamide CAS Name: 4-[4-oxo-2-(phenylmethylthio)-3-thieno[3,2-d]pyrimidinyl]-N-phenethylbutanamide IUPAC Name: 4-(2-benzylsulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-phenethylbutanamide Traditional Name: 4-[2-(benzylthio)-4-keto-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butyramide Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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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=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S2/c29-22(26-15-13-19-8-3-1-4-9-19)12-7-16-28-24(30)23-21(14-17-31-23)27-25(28)32-18-20-10-5-2-6-11-20/h1-6,8-11,14,17H,7,12-13,15-16,18H2,(H,26,29)