N4-(2-methylphenyl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylphenyl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(o-tolyl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(2-methylphenyl)-1-phenyl-N6-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylphenyl)-1-phenyl-6-N-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(o-toluidino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-propyl-amine Formula: C21H22N6 MolecularWeight: 358.43958

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC=C4C

Isomeric SMILES

CCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC=C4C

InChI

InChI=1S/C21H22N6/c1-3-13-22-21-25-19(24-18-12-8-7-9-15(18)2)17-14-23-27(20(17)26-21)16-10-5-4-6-11-16/h4-12,14H,3,13H2,1-2H3,(H2,22,24,25,26)