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

Systemtic Name: N6-butyl-1-methyl-N4-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-butyl-1-methyl-N4-(m-tolyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-butyl-1-methyl-N4-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-1-methyl-4-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: butyl-[1-methyl-4-(m-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(=C3)C

Isomeric SMILES

CCCCNC1=NC2=C(C=NN2C)C(=N1)NC3=CC=CC(=C3)C

InChI

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