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

Systemtic Name: N4-(4-chlorophenyl)-N6-phenethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-chlorophenyl)-N6-phenethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-chlorophenyl)-N6-phenethyl-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-chlorophenyl)-6-N-phenethyl-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(4-chloroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-phenethyl-amine Formula: C25H21ClN6 MolecularWeight: 440.92744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H21ClN6/c26-19-11-13-20(14-12-19)29-23-22-17-28-32(21-9-5-2-6-10-21)24(22)31-25(30-23)27-16-15-18-7-3-1-4-8-18/h1-14,17H,15-16H2,(H2,27,29,30,31)