methyl 2-[2-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)ethylamino]ethanoate

Systemtic Name: methyl 2-[2-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)ethylamino]ethanoate Openeye Name: methyl 2-[2-(2-acetamido-6-oxo-3H-purin-9-yl)ethylamino]acetate CAS Name: 2-[2-(2-acetamido-6-oxo-3H-purin-9-yl)ethylamino]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-acetamido-6-oxo-3H-purin-9-yl)ethylamino]acetate Traditional Name: 2-[2-(2-acetamido-6-keto-3H-purin-9-yl)ethylamino]acetic acid methyl ester Formula: C12H16N6O4 MolecularWeight: 308.29324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CCNCC(=O)OC

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CCNCC(=O)OC

InChI

InChI=1S/C12H16N6O4/c1-7(19)15-12-16-10-9(11(21)17-12)14-6-18(10)4-3-13-5-8(20)22-2/h6,13H,3-5H2,1-2H3,(H2,15,16,17,19,21)