2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoic acid

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoic acid Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoic acid CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)propanoic acid IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)propanoic acid Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid Formula: C10H11ClN4O4 MolecularWeight: 286.67174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C(=O)O)N1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C10H11ClN4O4/c1-4(8(17)18)15-5-6(12-9(15)11)13(2)10(19)14(3)7(5)16/h4H,1-3H3,(H,17,18)