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

Systemtic Name: N4-(3-chlorophenyl)-N6-cyclohexyl-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-N6-cyclohexyl-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-N6-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-6-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloroanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-cyclohexyl-amine Formula: C18H21ClN6 MolecularWeight: 356.85254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NC3CCCCC3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NC3CCCCC3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H21ClN6/c1-25-17-15(11-20-25)16(21-14-9-5-6-12(19)10-14)23-18(24-17)22-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,21,22,23,24)