N-(1-adamantyl)-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(1-adamantyl)-1-(3-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(1-adamantyl)-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 1-adamantyl-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H22ClN5 MolecularWeight: 379.88588

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC5=C4C=NN5C6=CC(=CC=C6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC5=C4C=NN5C6=CC(=CC=C6)Cl

InChI

InChI=1S/C21H22ClN5/c22-16-2-1-3-17(7-16)27-20-18(11-25-27)19(23-12-24-20)26-21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,11-15H,4-6,8-10H2,(H,23,24,26)