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

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoic acid Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoic acid CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)butanoic acid Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid Formula: C11H13ClN4O4 MolecularWeight: 300.69832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN4O4/c1-4-5(9(18)19)16-6-7(13-10(16)12)14(2)11(20)15(3)8(6)17/h5H,4H2,1-3H3,(H,18,19)