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

Systemtic Name: N',N'-diethyl-N-[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]butane-1,4-diamine Openeye Name: N',N'-diethyl-N-[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]butane-1,4-diamine CAS Name: N',N'-diethyl-N-[8-(4-fluorophenyl)-2-methyl-9-propyl-6-purinyl]butane-1,4-diamine IUPAC Name: N',N'-diethyl-N-[8-(4-fluorophenyl)-2-methyl-9-propylpurin-6-yl]butane-1,4-diamine Traditional Name: diethyl-[4-[[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]amino]butyl]amine Formula: C23H33FN6 MolecularWeight: 412.546723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33FN6/c1-5-15-30-22(18-10-12-19(24)13-11-18)28-20-21(26-17(4)27-23(20)30)25-14-8-9-16-29(6-2)7-3/h10-13H,5-9,14-16H2,1-4H3,(H,25,26,27)