4-[1-butyl-2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]benzoic acid

Systemtic Name: 4-[1-butyl-2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]benzoic acid Openeye Name: 4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)benzoic acid CAS Name: 4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)benzoic acid IUPAC Name: 4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)benzoic acid Traditional Name: 4-(1-butyl-2,6-diketo-3,7-dihydropurin-8-yl)benzoic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H16N4O4/c1-2-3-8-20-14(21)11-13(19-16(20)24)18-12(17-11)9-4-6-10(7-5-9)15(22)23/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,24)(H,22,23)