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

Systemtic Name: 2-[1-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]ethanoic acid Openeye Name: 2-(1-methyl-2,6-dioxo-3-propyl-purin-7-yl)acetic acid CAS Name: 2-(1-methyl-2,6-dioxo-3-propyl-7-purinyl)acetic acid IUPAC Name: 2-(1-methyl-2,6-dioxo-3-propylpurin-7-yl)acetic acid Traditional Name: 2-(2,6-diketo-1-methyl-3-propyl-purin-7-yl)acetic acid Formula: C11H14N4O4 MolecularWeight: 266.25326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O4/c1-3-4-15-9-8(10(18)13(2)11(15)19)14(6-12-9)5-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)