N,N-bis(2-cyanoethyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C20H17N5OS2 MolecularWeight: 407.51188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C20H17N5OS2/c21-8-4-10-25(11-5-9-22)17(26)13-28-20-18-16(15-6-2-1-3-7-15)12-27-19(18)23-14-24-20/h1-3,6-7,12,14H,4-5,10-11,13H2