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

Systemtic Name: N4-(4-chloranyl-2-methyl-phenyl)-1-methyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-chloro-2-methyl-phenyl)-1-methyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-chloro-2-methylphenyl)-1-methyl-N6-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-chloro-2-methylphenyl)-1-methyl-6-N-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(4-chloro-2-methyl-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-propyl-amine Formula: C16H19ClN6 MolecularWeight: 330.81526

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C=NN2C)C(=N1)NC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCCNC1=NC2=C(C=NN2C)C(=N1)NC3=C(C=C(C=C3)Cl)C

InChI

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