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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-pentan-3-yl-N6-phenyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-(1-ethylpropyl)-N6-phenyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-pentan-3-yl-N6-phenylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-pentan-3-yl-6-N-phenylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-anilino-9-(1-ethylpropyl)purin-2-yl]amine Formula: C22H31N7 MolecularWeight: 393.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C=NC2=C1N=C(N=C2NC3=CC=CC=C3)NC4CCC(CC4)N

Isomeric SMILES

CCC(CC)N1C=NC2=C1N=C(N=C2NC3=CC=CC=C3)NC4CCC(CC4)N

InChI

InChI=1S/C22H31N7/c1-3-18(4-2)29-14-24-19-20(25-16-8-6-5-7-9-16)27-22(28-21(19)29)26-17-12-10-15(23)11-13-17/h5-9,14-15,17-18H,3-4,10-13,23H2,1-2H3,(H2,25,26,27,28)