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

Systemtic Name: N6-butyl-1-methyl-N4-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-butyl-1-methyl-N4-(o-tolyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-butyl-1-methyl-N4-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: butyl-[1-methyl-4-(o-toluidino)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C17H22N6 MolecularWeight: 310.39678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C=NN2C)C(=N1)NC3=CC=CC=C3C

Isomeric SMILES

CCCCNC1=NC2=C(C=NN2C)C(=N1)NC3=CC=CC=C3C

InChI

InChI=1S/C17H22N6/c1-4-5-10-18-17-21-15(13-11-19-23(3)16(13)22-17)20-14-9-7-6-8-12(14)2/h6-9,11H,4-5,10H2,1-3H3,(H2,18,20,21,22)