methyl 3-[1-methyl-2,6-bis(oxidanylidene)-3H-purin-7-yl]propanoate

Systemtic Name: methyl 3-[1-methyl-2,6-bis(oxidanylidene)-3H-purin-7-yl]propanoate Openeye Name: methyl 3-(1-methyl-2,6-dioxo-3H-purin-7-yl)propanoate CAS Name: 3-(1-methyl-2,6-dioxo-3H-purin-7-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(1-methyl-2,6-dioxo-3H-purin-7-yl)propanoate Traditional Name: 3-(2,6-diketo-1-methyl-3H-purin-7-yl)propionic acid methyl ester Formula: C10H12N4O4 MolecularWeight: 252.22668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=CN2CCC(=O)OC

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=CN2CCC(=O)OC

InChI

InChI=1S/C10H12N4O4/c1-13-9(16)7-8(12-10(13)17)11-5-14(7)4-3-6(15)18-2/h5H,3-4H2,1-2H3,(H,12,17)