N6-butyl-N4-(2-chlorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-(2-chlorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(2-chlorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(2-chlorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(2-chlorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: butyl-[4-(2-chloroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C21H21ClN6 MolecularWeight: 392.88464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC=C4Cl

Isomeric SMILES

CCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN6/c1-2-3-13-23-21-26-19(25-18-12-8-7-11-17(18)22)16-14-24-28(20(16)27-21)15-9-5-4-6-10-15/h4-12,14H,2-3,13H2,1H3,(H2,23,25,26,27)