2-(4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-[4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: 2-(4-oxo-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-[4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide Formula: C21H19N3O2S3 MolecularWeight: 441.58946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

InChI

InChI=1S/C21H19N3O2S3/c25-18(22-8-10-27-12-15-5-2-1-3-6-15)11-24-14-23-20-19(21(24)26)16(13-29-20)17-7-4-9-28-17/h1-7,9,13-14H,8,10-12H2,(H,22,25)