N,N-bis(2-cyanoethyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C19H17N7OS MolecularWeight: 391.44958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C19H17N7OS/c20-8-4-10-25(11-5-9-21)17(27)13-28-19-16-12-24-26(18(16)22-14-23-19)15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,10-11,13H2