2-[(4-azanyl-1-methyl-5-nitroso-6-oxidanylidene-pyrimidin-2-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[(4-azanyl-1-methyl-5-nitroso-6-oxidanylidene-pyrimidin-2-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(4-amino-1-methyl-5-nitroso-6-oxo-pyrimidin-2-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[(4-amino-1-methyl-5-nitroso-6-oxo-2-pyrimidinyl)amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(4-amino-6-keto-1-methyl-5-nitroso-pyrimidin-2-yl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C11H13N7O4 MolecularWeight: 307.26542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1NC(CC2=CN=CN2)C(=O)O)N)N=O

Isomeric SMILES

CN1C(=O)C(=C(N=C1NC(CC2=CN=CN2)C(=O)O)N)N=O

InChI

InChI=1S/C11H13N7O4/c1-18-9(19)7(17-22)8(12)16-11(18)15-6(10(20)21)2-5-3-13-4-14-5/h3-4,6H,2,12H2,1H3,(H,13,14)(H,15,16)(H,20,21)