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

Systemtic Name: N6-butyl-N4-(4-chlorophenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(4-chlorophenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(4-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: butyl-[4-(4-chloroanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C16H19ClN6 MolecularWeight: 330.81526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN6/c1-3-4-9-18-16-21-14(13-10-19-23(2)15(13)22-16)20-12-7-5-11(17)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H2,18,20,21,22)