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

Systemtic Name: N',N'-diethyl-N-[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]ethane-1,2-diamine Openeye Name: N',N'-diethyl-N-[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]ethane-1,2-diamine CAS Name: N',N'-diethyl-N-[8-(4-fluorophenyl)-2-methyl-9-propyl-6-purinyl]ethane-1,2-diamine IUPAC Name: N',N'-diethyl-N-[8-(4-fluorophenyl)-2-methyl-9-propylpurin-6-yl]ethane-1,2-diamine Traditional Name: diethyl-[2-[[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]amino]ethyl]amine Formula: C21H29FN6 MolecularWeight: 384.493563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN6/c1-5-13-28-20(16-8-10-17(22)11-9-16)26-18-19(24-15(4)25-21(18)28)23-12-14-27(6-2)7-3/h8-11H,5-7,12-14H2,1-4H3,(H,23,24,25)