N4-(3-chlorophenyl)-N6-(3-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chlorophenyl)-N6-(3-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-N6-isopentyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-N6-(3-methylbutyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-6-N-(3-methylbutyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-isoamyl-amine Formula: C22H23ClN6 MolecularWeight: 406.91122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN6/c1-15(2)11-12-24-22-27-20(26-17-8-6-7-16(23)13-17)19-14-25-29(21(19)28-22)18-9-4-3-5-10-18/h3-10,13-15H,11-12H2,1-2H3,(H2,24,26,27,28)