N4-(3-chlorophenyl)-1-(phenylmethyl)-N3-pyridin-3-yl-pyrazolo[3,4-d]pyrimidine-3,4-diamine

Systemtic Name: N4-(3-chlorophenyl)-1-(phenylmethyl)-N3-pyridin-3-yl-pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: 1-benzyl-N4-(3-chlorophenyl)-N3-(3-pyridyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N4-(3-chlorophenyl)-1-(phenylmethyl)-N3-(3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 1-benzyl-4-N-(3-chlorophenyl)-3-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: [1-benzyl-4-(3-chloroanilino)pyrazolo[3,4-d]pyrimidin-3-yl]-(3-pyridyl)amine Formula: C23H18ClN7 MolecularWeight: 427.88892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NC4=CC(=CC=C4)Cl)C(=N2)NC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NC4=CC(=CC=C4)Cl)C(=N2)NC5=CN=CC=C5

InChI

InChI=1S/C23H18ClN7/c24-17-8-4-9-18(12-17)28-21-20-22(29-19-10-5-11-25-13-19)30-31(23(20)27-15-26-21)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,29,30)(H,26,27,28)