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

Systemtic Name: N-butyl-2-methyl-9-[3-(2-methylpiperidin-1-yl)propyl]-8-phenyl-purin-6-amine Openeye Name: N-butyl-2-methyl-9-[3-(2-methyl-1-piperidyl)propyl]-8-phenyl-purin-6-amine CAS Name: N-butyl-2-methyl-9-[3-(2-methyl-1-piperidinyl)propyl]-8-phenyl-6-purinamine IUPAC Name: N-butyl-2-methyl-9-[3-(2-methylpiperidin-1-yl)propyl]-8-phenylpurin-6-amine Traditional Name: butyl-[2-methyl-9-[3-(2-methylpiperidino)propyl]-8-phenyl-purin-6-yl]amine Formula: C25H36N6 MolecularWeight: 420.59354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=C(N2CCCN3CCCCC3C)C4=CC=CC=C4)C

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=C(N2CCCN3CCCCC3C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H36N6/c1-4-5-15-26-23-22-25(28-20(3)27-23)31(24(29-22)21-13-7-6-8-14-21)18-11-17-30-16-10-9-12-19(30)2/h6-8,13-14,19H,4-5,9-12,15-18H2,1-3H3,(H,26,27,28)