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

Systemtic Name: N4-(3-methoxyphenyl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-methoxyphenyl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-methoxyphenyl)-1-phenyl-N6-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methoxyphenyl)-1-phenyl-6-N-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(m-anisidino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-propyl-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(=CC=C4)OC

Isomeric SMILES

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

InChI

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