6-azanyl-2-(1-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-methyl-pyrimidine-4-carboxylic acid

Systemtic Name: 6-azanyl-2-(1-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-methyl-pyrimidine-4-carboxylic acid Openeye Name: 6-amino-2-(1-amino-3-hydroxy-3-oxo-propyl)-5-methyl-pyrimidine-4-carboxylic acid CAS Name: 6-amino-2-(1-amino-3-hydroxy-3-oxopropyl)-5-methyl-4-pyrimidinecarboxylic acid IUPAC Name: 6-amino-2-(1-amino-3-hydroxy-3-oxopropyl)-5-methylpyrimidine-4-carboxylic acid Traditional Name: 6-amino-2-(1-amino-3-hydroxy-3-keto-propyl)-5-methyl-pyrimidine-4-carboxylic acid Formula: C9H12N4O4 MolecularWeight: 240.21598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N)C(CC(=O)O)N)C(=O)O

Isomeric SMILES

CC1=C(N=C(N=C1N)C(CC(=O)O)N)C(=O)O

InChI

InChI=1S/C9H12N4O4/c1-3-6(9(16)17)12-8(13-7(3)11)4(10)2-5(14)15/h4H,2,10H2,1H3,(H,14,15)(H,16,17)(H2,11,12,13)