methyl 3-[(7-methyl-6-oxidanylidene-3H-purin-8-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-[(7-methyl-6-oxidanylidene-3H-purin-8-yl)carbonylamino]propanoate Openeye Name: methyl 3-[(7-methyl-6-oxo-3H-purine-8-carbonyl)amino]propanoate CAS Name: 3-[[(7-methyl-6-oxo-3H-purin-8-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(7-methyl-6-oxo-3H-purine-8-carbonyl)amino]propanoate Traditional Name: 3-[(6-keto-7-methyl-3H-purine-8-carbonyl)amino]propionic acid methyl ester Formula: C11H13N5O4 MolecularWeight: 279.25202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC=NC2=O)N=C1C(=O)NCCC(=O)OC

Isomeric SMILES

CN1C2=C(NC=NC2=O)N=C1C(=O)NCCC(=O)OC

InChI

InChI=1S/C11H13N5O4/c1-16-7-8(13-5-14-10(7)18)15-9(16)11(19)12-4-3-6(17)20-2/h5H,3-4H2,1-2H3,(H,12,19)(H,13,14,18)