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

Systemtic Name: 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]butanoate Openeye Name: 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]butanoate CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]butanoate IUPAC Name: 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]butanoate Traditional Name: 4-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]butyrate Formula: C11H14N5O4- MolecularWeight: 280.25996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCCC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCCC(=O)[O-]

InChI

InChI=1S/C11H15N5O4/c1-15-8-7(9(19)16(2)11(15)20)13-10(14-8)12-5-3-4-6(17)18/h3-5H2,1-2H3,(H,17,18)(H2,12,13,14)/p-1