3-(1H-imidazol-5-yl)-2-[[3-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[[3-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]carbonylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid Traditional Name: 2-[(2,4-diketo-3-methyl-1H-pyrimidine-6-carbonyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C12H13N5O5 MolecularWeight: 307.26212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CN1C(=O)C=C(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C12H13N5O5/c1-17-9(18)3-7(16-12(17)22)10(19)15-8(11(20)21)2-6-4-13-5-14-6/h3-5,8H,2H2,1H3,(H,13,14)(H,15,19)(H,16,22)(H,20,21)