N2-(4-azanylcyclohexyl)-N6-[(4-methyl-1H-pyrazol-5-yl)methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(4-methyl-1H-pyrazol-5-yl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[(4-methyl-1H-pyrazol-5-yl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(4-methyl-1H-pyrazol-5-yl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[(4-methyl-1H-pyrazol-5-yl)methylamino]purin-2-yl]amine Formula: C19H29N9 MolecularWeight: 383.49386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1)CNC2=NC(=NC3=C2N=CN3C(C)C)NC4CCC(CC4)N

Isomeric SMILES

CC1=C(NN=C1)CNC2=NC(=NC3=C2N=CN3C(C)C)NC4CCC(CC4)N

InChI

InChI=1S/C19H29N9/c1-11(2)28-10-22-16-17(21-9-15-12(3)8-23-27-15)25-19(26-18(16)28)24-14-6-4-13(20)5-7-14/h8,10-11,13-14H,4-7,9,20H2,1-3H3,(H,23,27)(H2,21,24,25,26)