N',N'-diethyl-N-[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]propane-1,3-diamine

Systemtic Name: N',N'-diethyl-N-[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]propane-1,3-diamine Openeye Name: N',N'-diethyl-N-[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]propane-1,3-diamine CAS Name: N',N'-diethyl-N-[8-(4-fluorophenyl)-2-methyl-9-propyl-6-purinyl]propane-1,3-diamine IUPAC Name: N',N'-diethyl-N-[8-(4-fluorophenyl)-2-methyl-9-propylpurin-6-yl]propane-1,3-diamine Traditional Name: diethyl-[3-[[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]amino]propyl]amine Formula: C22H31FN6 MolecularWeight: 398.520143

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C)NCCCN(CC)CC)N=C1C3=CC=C(C=C3)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C)NCCCN(CC)CC)N=C1C3=CC=C(C=C3)F

InChI

InChI=1S/C22H31FN6/c1-5-14-29-21(17-9-11-18(23)12-10-17)27-19-20(25-16(4)26-22(19)29)24-13-8-15-28(6-2)7-3/h9-12H,5-8,13-15H2,1-4H3,(H,24,25,26)