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

Systemtic Name: N4-(4-chlorophenyl)-N6-(3-ethoxypropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-chlorophenyl)-N6-(3-ethoxypropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-chlorophenyl)-N6-(3-ethoxypropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-chlorophenyl)-6-N-(3-ethoxypropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(4-chloroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-(3-ethoxypropyl)amine Formula: C22H23ClN6O MolecularWeight: 422.91062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN6O/c1-2-30-14-6-13-24-22-27-20(26-17-11-9-16(23)10-12-17)19-15-25-29(21(19)28-22)18-7-4-3-5-8-18/h3-5,7-12,15H,2,6,13-14H2,1H3,(H2,24,26,27,28)