methyl 4-[[6-(diethylamino)purin-9-yl]methyl]benzoate chloride

Systemtic Name: methyl 4-[[6-(diethylamino)purin-9-yl]methyl]benzoate chloride Openeye Name: methyl 4-[[6-(diethylamino)purin-9-yl]methyl]benzoate chloride CAS Name: 4-[[6-(diethylamino)-9-purinyl]methyl]benzoic acid methyl ester chloride IUPAC Name: methyl 4-[[6-(diethylamino)purin-9-yl]methyl]benzoate chloride Traditional Name: 4-[[6-(diethylamino)purin-9-yl]methyl]benzoic acid methyl ester chloride Formula: C18H21ClN5O2- MolecularWeight: 374.84464

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)C(=O)OC.[Cl-]

Isomeric SMILES

CCN(CC)C1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)C(=O)OC.[Cl-]

InChI

InChI=1S/C18H21N5O2.ClH/c1-4-22(5-2)16-15-17(20-11-19-16)23(12-21-15)10-13-6-8-14(9-7-13)18(24)25-3;/h6-9,11-12H,4-5,10H2,1-3H3;1H/p-1