2-[8-azanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: 2-[8-azanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 2-(8-amino-3-methyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(8-amino-3-methyl-2,6-dioxo-7-purinyl)acetate IUPAC Name: 2-(8-amino-3-methyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(8-amino-2,6-diketo-3-methyl-purin-7-yl)acetate Formula: C8H8N5O4- MolecularWeight: 238.18022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N)CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N)CC(=O)[O-]

InChI

InChI=1S/C8H9N5O4/c1-12-5-4(6(16)11-8(12)17)13(2-3(14)15)7(9)10-5/h2H2,1H3,(H2,9,10)(H,14,15)(H,11,16,17)/p-1