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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid; piperazine Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid; piperazine CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid; piperazine IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid; piperazine Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid; piperazine Formula: C22H30N10O8 MolecularWeight: 562.5358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H10N4O4.C4H10N2/c2*1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-2-6-4-3-5-1/h2*4H,3H2,1-2H3,(H,14,15);5-6H,1-4H2