4-[[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]benzonitrile Formula: C20H15N5S MolecularWeight: 357.4316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H15N5S/c21-10-15-6-8-17(9-7-15)13-26-20-18-11-24-25(19(18)22-14-23-20)12-16-4-2-1-3-5-16/h1-9,11,14H,12-13H2