N-cyclohexyl-2-methyl-9-[3-(2-methylpiperidin-1-yl)propyl]-8-phenyl-purin-6-amine

Systemtic Name: N-cyclohexyl-2-methyl-9-[3-(2-methylpiperidin-1-yl)propyl]-8-phenyl-purin-6-amine Openeye Name: N-cyclohexyl-2-methyl-9-[3-(2-methyl-1-piperidyl)propyl]-8-phenyl-purin-6-amine CAS Name: N-cyclohexyl-2-methyl-9-[3-(2-methyl-1-piperidinyl)propyl]-8-phenyl-6-purinamine IUPAC Name: N-cyclohexyl-2-methyl-9-[3-(2-methylpiperidin-1-yl)propyl]-8-phenylpurin-6-amine Traditional Name: cyclohexyl-[2-methyl-9-[3-(2-methylpiperidino)propyl]-8-phenyl-purin-6-yl]amine Formula: C27H38N6 MolecularWeight: 446.63082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCN2C3=C(C(=NC(=N3)C)NC4CCCCC4)N=C2C5=CC=CC=C5

Isomeric SMILES

CC1CCCCN1CCCN2C3=C(C(=NC(=N3)C)NC4CCCCC4)N=C2C5=CC=CC=C5

InChI

InChI=1S/C27H38N6/c1-20-12-9-10-17-32(20)18-11-19-33-26(22-13-5-3-6-14-22)31-24-25(28-21(2)29-27(24)33)30-23-15-7-4-8-16-23/h3,5-6,13-14,20,23H,4,7-12,15-19H2,1-2H3,(H,28,29,30)