8-(4-fluorophenyl)-2-methyl-N-[1-(phenylmethyl)piperidin-4-yl]-9-propyl-purin-6-amine

Systemtic Name: 8-(4-fluorophenyl)-2-methyl-N-[1-(phenylmethyl)piperidin-4-yl]-9-propyl-purin-6-amine Openeye Name: N-(1-benzyl-4-piperidyl)-8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-amine CAS Name: 8-(4-fluorophenyl)-2-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-9-propyl-6-purinamine IUPAC Name: N-(1-benzylpiperidin-4-yl)-8-(4-fluorophenyl)-2-methyl-9-propylpurin-6-amine Traditional Name: (1-benzyl-4-piperidyl)-[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]amine Formula: C27H31FN6 MolecularWeight: 458.573643

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C)NC3CCN(CC3)CC4=CC=CC=C4)N=C1C5=CC=C(C=C5)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C)NC3CCN(CC3)CC4=CC=CC=C4)N=C1C5=CC=C(C=C5)F

InChI

InChI=1S/C27H31FN6/c1-3-15-34-26(21-9-11-22(28)12-10-21)32-24-25(29-19(2)30-27(24)34)31-23-13-16-33(17-14-23)18-20-7-5-4-6-8-20/h4-12,23H,3,13-18H2,1-2H3,(H,29,30,31)