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

Systemtic Name: 4-(4-chlorophenyl)-N6-cyclopropyl-2-phenyl-pyrazolo[3,4-d]pyrimidine-3,6-diamine Openeye Name: 4-(4-chlorophenyl)-N6-cyclopropyl-2-phenyl-pyrazolo[3,4-d]pyrimidine-3,6-diamine CAS Name: 4-(4-chlorophenyl)-N6-cyclopropyl-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine IUPAC Name: 4-(4-chlorophenyl)-6-N-cyclopropyl-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine Traditional Name: [3-amino-4-(4-chlorophenyl)-2-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-cyclopropyl-amine Formula: C20H17ClN6 MolecularWeight: 376.84218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC3=NN(C(=C3C(=N2)C4=CC=C(C=C4)Cl)N)C5=CC=CC=C5

Isomeric SMILES

C1CC1NC2=NC3=NN(C(=C3C(=N2)C4=CC=C(C=C4)Cl)N)C5=CC=CC=C5

InChI

InChI=1S/C20H17ClN6/c21-13-8-6-12(7-9-13)17-16-18(22)27(15-4-2-1-3-5-15)26-19(16)25-20(24-17)23-14-10-11-14/h1-9,14H,10-11,22H2,(H,23,25,26)