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

Systemtic Name: N4-(3-chlorophenyl)-N3-cyclohexyl-N3-methyl-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: N4-(3-chlorophenyl)-N3-cyclohexyl-N3-methyl-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N4-(3-chlorophenyl)-N3-cyclohexyl-N3-methyl-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 4-N-(3-chlorophenyl)-3-N-cyclohexyl-3-N-methyl-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: [4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-cyclohexyl-methyl-amine Formula: C18H21ClN6 MolecularWeight: 356.85254

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CN(C1CCCCC1)C2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl

InChI

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