4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]benzoic acid

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]benzoic acid Openeye Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzoic acid CAS Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzoic acid IUPAC Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzoic acid Traditional Name: 4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)benzoic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H,24,25)