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

Systemtic Name: N6-butyl-N4-(4-chloranyl-2-methyl-phenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(4-chloro-2-methyl-phenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(4-chloro-2-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(4-chloro-2-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: butyl-[4-(4-chloro-2-methyl-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C17H21ClN6 MolecularWeight: 344.84184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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