(2-azanylidene-1-methyl-6-oxidanylidene-7H-purin-3-yl) ethanoate

Systemtic Name: (2-azanylidene-1-methyl-6-oxidanylidene-7H-purin-3-yl) ethanoate Openeye Name: (2-imino-1-methyl-6-oxo-7H-purin-3-yl) acetate CAS Name: acetic acid (2-imino-1-methyl-6-oxo-7H-purin-3-yl) ester IUPAC Name: (2-imino-1-methyl-6-oxo-7H-purin-3-yl) acetate Traditional Name: acetic acid (2-imino-6-keto-1-methyl-7H-purin-3-yl) ester Formula: C8H9N5O3 MolecularWeight: 223.18876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1C2=C(C(=O)N(C1=N)C)NC=N2

Isomeric SMILES

CC(=O)ON1C2=C(C(=O)N(C1=N)C)NC=N2

InChI

InChI=1S/C8H9N5O3/c1-4(14)16-13-6-5(10-3-11-6)7(15)12(2)8(13)9/h3,9H,1-2H3,(H,10,11)