N4-(3-chlorophenyl)-N3-hexyl-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine

Systemtic Name: N4-(3-chlorophenyl)-N3-hexyl-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: N4-(3-chlorophenyl)-N3-hexyl-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N4-(3-chlorophenyl)-N3-hexyl-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 4-N-(3-chlorophenyl)-3-N-hexyl-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: [4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-hexyl-amine Formula: C17H21ClN6 MolecularWeight: 344.84184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NNC2=C1C(=NC=N2)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCCNC1=NNC2=C1C(=NC=N2)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H21ClN6/c1-2-3-4-5-9-19-16-14-15(20-11-21-17(14)24-23-16)22-13-8-6-7-12(18)10-13/h6-8,10-11H,2-5,9H2,1H3,(H3,19,20,21,22,23,24)