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

Systemtic Name: 8-(4-fluorophenyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-9-propyl-purin-6-amine Openeye Name: 8-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-piperidyl)methyl]-9-propyl-purin-6-amine CAS Name: 8-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-piperidinyl)methyl]-9-propyl-6-purinamine IUPAC Name: 8-(4-fluorophenyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-9-propylpurin-6-amine Traditional Name: [8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]-[(1-methyl-4-piperidyl)methyl]amine Formula: C22H29FN6 MolecularWeight: 396.504263

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C)NCC3CCN(CC3)C)N=C1C4=CC=C(C=C4)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C)NCC3CCN(CC3)C)N=C1C4=CC=C(C=C4)F

InChI

InChI=1S/C22H29FN6/c1-4-11-29-21(17-5-7-18(23)8-6-17)27-19-20(25-15(2)26-22(19)29)24-14-16-9-12-28(3)13-10-16/h5-8,16H,4,9-14H2,1-3H3,(H,24,25,26)