2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]ethanoic acid; piperazine

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]ethanoic acid; piperazine Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid; piperazine CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid; piperazine IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid; piperazine Traditional Name: 2-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)acetic acid; piperazine Formula: C13H20N6O4 MolecularWeight: 324.3357

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC(=O)O.C1CNCCN1

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC(=O)O.C1CNCCN1

InChI

InChI=1S/C9H10N4O4.C4H10N2/c1-12-7-6(8(16)13(2)9(12)17)10-4(11-7)3-5(14)15;1-2-6-4-3-5-1/h3H2,1-2H3,(H,10,11)(H,14,15);5-6H,1-4H2