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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propanoic acid Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propanoic acid CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)propanoic acid IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanoic acid Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)propionic acid Formula: C10H12N4O4 MolecularWeight: 252.22668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(C(=O)O)N1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C10H12N4O4/c1-5(9(16)17)14-8(15)6-7(11-4-12(6)2)13(3)10(14)18/h4-5H,1-3H3,(H,16,17)