2-[4-morpholin-4-yl-6-(phenylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[4-morpholin-4-yl-6-(phenylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-(6-benzylsulfanyl-4-morpholino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile CAS Name: 2-[4-(4-morpholinyl)-6-(phenylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile IUPAC Name: 2-(6-benzylsulfanyl-4-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile Traditional Name: 2-[6-(benzylthio)-4-morpholino-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC3=NNC(=C32)CC#N)SCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NC(=NC3=NNC(=C32)CC#N)SCC4=CC=CC=C4

InChI

InChI=1S/C18H18N6OS/c19-7-6-14-15-16(23-22-14)20-18(26-12-13-4-2-1-3-5-13)21-17(15)24-8-10-25-11-9-24/h1-5H,6,8-12H2,(H,20,21,22,23)