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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN6/c1-3-4-13-28(2)22-26-20(25-17-10-8-9-16(23)14-17)19-15-24-29(21(19)27-22)18-11-6-5-7-12-18/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,26,27)