5-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]furan-2-carboxylic acid

Systemtic Name: 5-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]furan-2-carboxylic acid Openeye Name: 5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)furan-2-carboxylic acid CAS Name: 5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-furancarboxylic acid IUPAC Name: 5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)furan-2-carboxylic acid Traditional Name: 5-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)-2-furoic acid Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(O3)C(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(O3)C(=O)O

InChI

InChI=1S/C16H18N4O5/c1-3-7-19-13-11(14(21)20(8-4-2)16(19)24)17-12(18-13)9-5-6-10(25-9)15(22)23/h5-6H,3-4,7-8H2,1-2H3,(H,17,18)(H,22,23)