4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]butanoate

Systemtic Name: 4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]butanoate Openeye Name: 4-(3,7-dimethyl-2,6-dioxo-purin-1-yl)butanoate CAS Name: 4-(3,7-dimethyl-2,6-dioxo-1-purinyl)butanoate IUPAC Name: 4-(3,7-dimethyl-2,6-dioxopurin-1-yl)butanoate Traditional Name: 4-(2,6-diketo-3,7-dimethyl-purin-1-yl)butyrate Formula: C11H13N4O4- MolecularWeight: 265.24532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)[O-]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)[O-]

InChI

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