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

Systemtic Name: N4-(3-chlorophenyl)-N6-phenethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-N6-phenethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-N6-phenethyl-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-6-N-phenethyl-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-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(=CC=C5)Cl

Isomeric SMILES

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

InChI

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