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

Systemtic Name: 2-methyl-9-[3-(2-methylpiperidin-1-yl)propyl]-8-phenyl-N-(phenylmethyl)purin-6-amine Openeye Name: N-benzyl-2-methyl-9-[3-(2-methyl-1-piperidyl)propyl]-8-phenyl-purin-6-amine CAS Name: 2-methyl-9-[3-(2-methyl-1-piperidinyl)propyl]-8-phenyl-N-(phenylmethyl)-6-purinamine IUPAC Name: N-benzyl-2-methyl-9-[3-(2-methylpiperidin-1-yl)propyl]-8-phenylpurin-6-amine Traditional Name: benzyl-[2-methyl-9-[3-(2-methylpiperidino)propyl]-8-phenyl-purin-6-yl]amine Formula: C28H34N6 MolecularWeight: 454.60976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCN2C3=C(C(=NC(=N3)C)NCC4=CC=CC=C4)N=C2C5=CC=CC=C5

Isomeric SMILES

CC1CCCCN1CCCN2C3=C(C(=NC(=N3)C)NCC4=CC=CC=C4)N=C2C5=CC=CC=C5

InChI

InChI=1S/C28H34N6/c1-21-12-9-10-17-33(21)18-11-19-34-27(24-15-7-4-8-16-24)32-25-26(30-22(2)31-28(25)34)29-20-23-13-5-3-6-14-23/h3-8,13-16,21H,9-12,17-20H2,1-2H3,(H,29,30,31)