N6-(3-methylbutyl)-N4,1-diphenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methylbutyl)-N4,1-diphenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-N4,1-diphenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-N4,1-diphenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylbutyl)-4-N,1-diphenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (4-anilino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)-isoamyl-amine Formula: C22H24N6 MolecularWeight: 372.46616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC=C4

Isomeric SMILES

CC(C)CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=CC=C4

InChI

InChI=1S/C22H24N6/c1-16(2)13-14-23-22-26-20(25-17-9-5-3-6-10-17)19-15-24-28(21(19)27-22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H2,23,25,26,27)