2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]terephthalic acid Formula: C17H15N5O7 MolecularWeight: 401.3303

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H15N5O7/c1-20-13-12(14(24)21(2)17(20)29)22(7-18-13)6-11(23)19-10-5-8(15(25)26)3-4-9(10)16(27)28/h3-5,7H,6H2,1-2H3,(H,19,23)(H,25,26)(H,27,28)