4-azanyl-1-methyl-pyrimidin-2-one; 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoic acid

Systemtic Name: 4-azanyl-1-methyl-pyrimidin-2-one; 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoic acid Openeye Name: 4-amino-1-methyl-pyrimidin-2-one; 3-(2-amino-6-oxo-3H-purin-9-yl)propanoic acid CAS Name: 4-amino-1-methyl-2-pyrimidinone; 3-(2-amino-6-oxo-3H-purin-9-yl)propanoic acid IUPAC Name: 4-amino-1-methylpyrimidin-2-one; 3-(2-amino-6-oxo-3H-purin-9-yl)propanoic acid Traditional Name: 3-(2-amino-6-keto-3H-purin-9-yl)propionic acid; 4-amino-1-methyl-pyrimidin-2-one Formula: C13H16N8O4 MolecularWeight: 348.31734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=NC1=O)N.C1=NC2=C(N1CCC(=O)O)NC(=NC2=O)N

Isomeric SMILES

CN1C=CC(=NC1=O)N.C1=NC2=C(N1CCC(=O)O)NC(=NC2=O)N

InChI

InChI=1S/C8H9N5O3.C5H7N3O/c9-8-11-6-5(7(16)12-8)10-3-13(6)2-1-4(14)15;1-8-3-2-4(6)7-5(8)9/h3H,1-2H2,(H,14,15)(H3,9,11,12,16);2-3H,1H3,(H2,6,7,9)