N-cyclohexyl-9-[5-(diethylamino)pentan-2-yl]-2-methyl-8-phenyl-purin-6-amine

Systemtic Name: N-cyclohexyl-9-[5-(diethylamino)pentan-2-yl]-2-methyl-8-phenyl-purin-6-amine Openeye Name: N-cyclohexyl-9-[4-(diethylamino)-1-methyl-butyl]-2-methyl-8-phenyl-purin-6-amine CAS Name: N-cyclohexyl-9-[5-(diethylamino)pentan-2-yl]-2-methyl-8-phenyl-6-purinamine IUPAC Name: N-cyclohexyl-9-[5-(diethylamino)pentan-2-yl]-2-methyl-8-phenylpurin-6-amine Traditional Name: 4-[6-(cyclohexylamino)-2-methyl-8-phenyl-purin-9-yl]pentyl-diethyl-amine Formula: C27H40N6 MolecularWeight: 448.6467

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)N1C2=C(C(=NC(=N2)C)NC3CCCCC3)N=C1C4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCCC(C)N1C2=C(C(=NC(=N2)C)NC3CCCCC3)N=C1C4=CC=CC=C4

InChI

InChI=1S/C27H40N6/c1-5-32(6-2)19-13-14-20(3)33-26(22-15-9-7-10-16-22)31-24-25(28-21(4)29-27(24)33)30-23-17-11-8-12-18-23/h7,9-10,15-16,20,23H,5-6,8,11-14,17-19H2,1-4H3,(H,28,29,30)