6-(7H-purin-6-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-(7H-purin-6-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-(7H-purin-6-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-(7H-purin-6-ylamino)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-(7H-purin-6-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-(7H-purin-6-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=NC=NC3=C2NC=N3)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=NC=NC3=C2NC=N3)C(=O)O

InChI

InChI=1S/C13H13N5O3/c19-12(7-3-1-2-4-8(7)13(20)21)18-11-9-10(15-5-14-9)16-6-17-11/h1-2,5-8H,3-4H2,(H,20,21)(H2,14,15,16,17,18,19)