2-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethylsulfanylmethyl]benzonitrile CAS Name: 2-[[2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]ethylthio]methyl]benzonitrile IUPAC Name: 2-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethylsulfanylmethyl]benzonitrile Traditional Name: 2-[[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethylthio]methyl]benzonitrile Formula: C21H18N6S MolecularWeight: 386.47282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCSCC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCSCC4=CC=CC=C4C#N

InChI

InChI=1S/C21H18N6S/c22-12-16-6-4-5-7-17(16)14-28-11-10-23-20-19-13-26-27(21(19)25-15-24-20)18-8-2-1-3-9-18/h1-9,13,15H,10-11,14H2,(H,23,24,25)