5-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2-amino-6-keto-3,7-dihydropurin-8-yl)methyl]-2-furoic acid Formula: C11H9N5O4 MolecularWeight: 275.22026

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)O)CC2=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=C(OC(=C1)C(=O)O)CC2=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C11H9N5O4/c12-11-15-8-7(9(17)16-11)13-6(14-8)3-4-1-2-5(20-4)10(18)19/h1-2H,3H2,(H,18,19)(H4,12,13,14,15,16,17)