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

Systemtic Name: N4-(4-chlorophenyl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-chlorophenyl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-chlorophenyl)-1-phenyl-N6-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-chlorophenyl)-1-phenyl-6-N-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(4-chloroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-propyl-amine Formula: C20H19ClN6 MolecularWeight: 378.85806

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN6/c1-2-12-22-20-25-18(24-15-10-8-14(21)9-11-15)17-13-23-27(19(17)26-20)16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H2,22,24,25,26)