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

Systemtic Name: 2-[4-[1-butyl-2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]phenyl]ethanoic acid Openeye Name: 2-[4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)phenyl]acetic acid CAS Name: 2-[4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)phenyl]acetic acid IUPAC Name: 2-[4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)phenyl]acetic acid Traditional Name: 2-[4-(1-butyl-2,6-diketo-3,7-dihydropurin-8-yl)phenyl]acetic acid Formula: C17H18N4O4 MolecularWeight: 342.34922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4/c1-2-3-8-21-16(24)13-15(20-17(21)25)19-14(18-13)11-6-4-10(5-7-11)9-12(22)23/h4-7H,2-3,8-9H2,1H3,(H,18,19)(H,20,25)(H,22,23)