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

Systemtic Name: N',N'-diethyl-N-[9-[(4-fluorophenyl)methyl]purin-6-yl]ethane-1,2-diamine Openeye Name: N',N'-diethyl-N-[9-[(4-fluorophenyl)methyl]purin-6-yl]ethane-1,2-diamine CAS Name: N',N'-diethyl-N-[9-[(4-fluorophenyl)methyl]-6-purinyl]ethane-1,2-diamine IUPAC Name: N',N'-diethyl-N-[9-[(4-fluorophenyl)methyl]purin-6-yl]ethane-1,2-diamine Traditional Name: diethyl-[2-[[9-(4-fluorobenzyl)purin-6-yl]amino]ethyl]amine Formula: C18H23FN6 MolecularWeight: 342.413823

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)CCNC1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H23FN6/c1-3-24(4-2)10-9-20-17-16-18(22-12-21-17)25(13-23-16)11-14-5-7-15(19)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,21,22)