N-(4-tert-butylphenyl)-1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(4-tert-butylphenyl)-1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(4-tert-butylphenyl)-1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(4-tert-butylphenyl)-1-(3-chloro-4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(4-tert-butylphenyl)-1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (4-tert-butylphenyl)-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H22ClN5 MolecularWeight: 391.89658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)C(C)(C)C)Cl

InChI

InChI=1S/C22H22ClN5/c1-14-5-10-17(11-19(14)23)28-21-18(12-26-28)20(24-13-25-21)27-16-8-6-15(7-9-16)22(2,3)4/h5-13H,1-4H3,(H,24,25,27)