N-(1-adamantyl)-1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(1-adamantyl)-1-(5-chloro-2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(1-adamantyl)-1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 1-adamantyl-[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H24ClN5 MolecularWeight: 393.91246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H24ClN5/c1-13-2-3-17(23)7-19(13)28-21-18(11-26-28)20(24-12-25-21)27-22-8-14-4-15(9-22)6-16(5-14)10-22/h2-3,7,11-12,14-16H,4-6,8-10H2,1H3,(H,24,25,27)