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

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

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC(=O)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC(=O)O

InChI

InChI=1S/C10H12N4O4/c1-12-5-11-8-7(12)9(17)14(4-3-6(15)16)10(18)13(8)2/h5H,3-4H2,1-2H3,(H,15,16)