2-tert-butyl-4-(4-chlorophenyl)-N6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

Systemtic Name: 2-tert-butyl-4-(4-chlorophenyl)-N6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine Openeye Name: N6-benzyl-2-tert-butyl-4-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine CAS Name: 2-tert-butyl-4-(4-chlorophenyl)-N6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine IUPAC Name: 6-N-benzyl-2-tert-butyl-4-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine Traditional Name: [3-amino-2-tert-butyl-4-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]-benzyl-amine Formula: C22H23ClN6 MolecularWeight: 406.91122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C2C(=NC(=NC2=N1)NCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)N

Isomeric SMILES

CC(C)(C)N1C(=C2C(=NC(=NC2=N1)NCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C22H23ClN6/c1-22(2,3)29-19(24)17-18(15-9-11-16(23)12-10-15)26-21(27-20(17)28-29)25-13-14-7-5-4-6-8-14/h4-12H,13,24H2,1-3H3,(H,25,27,28)