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

Systemtic Name: 2-[2,6-bis(oxidanylidene)-3-propyl-7H-purin-1-yl]ethanoic acid Openeye Name: 2-(2,6-dioxo-3-propyl-7H-purin-1-yl)acetic acid CAS Name: 2-(2,6-dioxo-3-propyl-7H-purin-1-yl)acetic acid IUPAC Name: 2-(2,6-dioxo-3-propyl-7H-purin-1-yl)acetic acid Traditional Name: 2-(2,6-diketo-3-propyl-7H-purin-1-yl)acetic acid Formula: C10H12N4O4 MolecularWeight: 252.22668

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC(=O)O)NC=N2

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC(=O)O)NC=N2

InChI

InChI=1S/C10H12N4O4/c1-2-3-13-8-7(11-5-12-8)9(17)14(10(13)18)4-6(15)16/h5H,2-4H2,1H3,(H,11,12)(H,15,16)