N2-(4-azanylcyclohexyl)-9-(oxolan-3-yl)-N6-phenyl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-(oxolan-3-yl)-N6-phenyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-phenyl-9-tetrahydrofuran-3-yl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-(3-oxolanyl)-N6-phenylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-(oxolan-3-yl)-6-N-phenylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-(6-anilino-9-tetrahydrofuran-3-yl-purin-2-yl)amine Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=CC=C4)N=CN3C5CCOC5

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=CC=C4)N=CN3C5CCOC5

InChI

InChI=1S/C21H27N7O/c22-14-6-8-16(9-7-14)25-21-26-19(24-15-4-2-1-3-5-15)18-20(27-21)28(13-23-18)17-10-11-29-12-17/h1-5,13-14,16-17H,6-12,22H2,(H2,24,25,26,27)