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

Systemtic Name: 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]butanoic acid Openeye Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]butanoic acid CAS Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]butanoic acid IUPAC Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]butanoic acid Traditional Name: 3-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]butyric acid Formula: C11H15N5O4 MolecularWeight: 281.2679

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(CC(=O)O)NC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C11H15N5O4/c1-5(4-6(17)18)12-10-13-7-8(14-10)15(2)11(20)16(3)9(7)19/h5H,4H2,1-3H3,(H,17,18)(H2,12,13,14)