2-[[8-(dimethylamino)purin-7-yl]-pentoxycarbonyl-amino]ethanoic acid

Systemtic Name: 2-[[8-(dimethylamino)purin-7-yl]-pentoxycarbonyl-amino]ethanoic acid Openeye Name: 2-[[8-(dimethylamino)purin-7-yl]-pentoxycarbonyl-amino]acetic acid CAS Name: 2-[[8-(dimethylamino)-7-purinyl]-[oxo(pentoxy)methyl]amino]acetic acid IUPAC Name: 2-[[8-(dimethylamino)purin-7-yl]-pentoxycarbonylamino]acetic acid Traditional Name: 2-[amoxycarbonyl-[8-(dimethylamino)purin-7-yl]amino]acetic acid Formula: C15H22N6O4 MolecularWeight: 350.37298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N(CC(=O)O)N1C2=CN=CN=C2N=C1N(C)C

Isomeric SMILES

CCCCCOC(=O)N(CC(=O)O)N1C2=CN=CN=C2N=C1N(C)C

InChI

InChI=1S/C15H22N6O4/c1-4-5-6-7-25-15(24)20(9-12(22)23)21-11-8-16-10-17-13(11)18-14(21)19(2)3/h8,10H,4-7,9H2,1-3H3,(H,22,23)