2-(4-azanyl-5-cyclohexyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-ium-3-yl)ethanenitrile

Systemtic Name: 2-(4-azanyl-5-cyclohexyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-ium-3-yl)ethanenitrile Openeye Name: 2-(4-amino-5-cyclohexyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-ium-3-yl)acetonitrile CAS Name: 2-(4-amino-5-cyclohexyl-1-phenyl-3-pyrazolo[3,4-d]pyrimidin-5-iumyl)acetonitrile IUPAC Name: 2-(4-amino-5-cyclohexyl-1-phenylpyrazolo[3,4-d]pyrimidin-5-ium-3-yl)acetonitrile Traditional Name: 2-(4-amino-5-cyclohexyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-ium-3-yl)acetonitrile Formula: C19H21N6+ MolecularWeight: 333.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2=C(C3=C(N=C2)N(N=C3CC#N)C4=CC=CC=C4)N

Isomeric SMILES

C1CCC(CC1)[N+]2=C(C3=C(N=C2)N(N=C3CC#N)C4=CC=CC=C4)N

InChI

InChI=1S/C19H20N6/c20-12-11-16-17-18(21)24(14-7-3-1-4-8-14)13-22-19(17)25(23-16)15-9-5-2-6-10-15/h2,5-6,9-10,13-14,21H,1,3-4,7-8,11H2/p+1