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

Systemtic Name: N4-(4-methoxyphenyl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-methoxyphenyl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-methoxyphenyl)-1-phenyl-N6-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methoxyphenyl)-1-phenyl-6-N-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (4-methoxyphenyl)-[1-phenyl-6-(propylamino)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22N6O/c1-3-13-22-21-25-19(24-15-9-11-17(28-2)12-10-15)18-14-23-27(20(18)26-21)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H2,22,24,25,26)