2-[3-(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-1-yl]ethanoic acid Openeye Name: 2-(3-isobutyl-2,6-dioxo-7H-purin-1-yl)acetic acid CAS Name: 2-[3-(2-methylpropyl)-2,6-dioxo-7H-purin-1-yl]acetic acid IUPAC Name: 2-[3-(2-methylpropyl)-2,6-dioxo-7H-purin-1-yl]acetic acid Traditional Name: 2-(3-isobutyl-2,6-diketo-7H-purin-1-yl)acetic acid Formula: C11H14N4O4 MolecularWeight: 266.25326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O4/c1-6(2)3-14-9-8(12-5-13-9)10(18)15(11(14)19)4-7(16)17/h5-6H,3-4H2,1-2H3,(H,12,13)(H,16,17)