4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-methyl-amino]butanoic acid

Systemtic Name: 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-methyl-amino]butanoic acid Openeye Name: 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methyl-amino]butanoic acid CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methylamino]butanoic acid IUPAC Name: 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methylamino]butanoic acid Traditional Name: 4-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-methyl-amino]butyric acid Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(C)CCCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(C)CCCC(=O)O

InChI

InChI=1S/C12H17N5O4/c1-15(6-4-5-7(18)19)11-13-8-9(14-11)16(2)12(21)17(3)10(8)20/h4-6H2,1-3H3,(H,13,14)(H,18,19)