3-[1-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]propanoic acid

Systemtic Name: 3-[1-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]propanoic acid Openeye Name: 3-(1-methyl-2,6-dioxo-3-propyl-purin-7-yl)propanoic acid CAS Name: 3-(1-methyl-2,6-dioxo-3-propyl-7-purinyl)propanoic acid IUPAC Name: 3-(1-methyl-2,6-dioxo-3-propylpurin-7-yl)propanoic acid Traditional Name: 3-(2,6-diketo-1-methyl-3-propyl-purin-7-yl)propionic acid Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)O

InChI

InChI=1S/C12H16N4O4/c1-3-5-16-10-9(11(19)14(2)12(16)20)15(7-13-10)6-4-8(17)18/h7H,3-6H2,1-2H3,(H,17,18)