4-[8-[(4-acetamidophenyl)methyl]-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-3-yl]butanoic acid

Systemtic Name: 4-[8-[(4-acetamidophenyl)methyl]-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-3-yl]butanoic acid Openeye Name: 4-[8-[(4-acetamidophenyl)methyl]-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-3-yl]butanoic acid CAS Name: 4-[8-[(4-acetamidophenyl)methyl]-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-3-yl]butanoic acid IUPAC Name: 4-[8-[(4-acetamidophenyl)methyl]-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-3-yl]butanoic acid Traditional Name: 4-[8-(4-acetamidobenzyl)-1-(2-fluorobenzyl)-2,6-diketo-7H-purin-3-yl]butyric acid Formula: C25H24FN5O5 MolecularWeight: 493.486963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC2=NC3=C(N2)C(=O)N(C(=O)N3CCCC(=O)O)CC4=CC=CC=C4F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC2=NC3=C(N2)C(=O)N(C(=O)N3CCCC(=O)O)CC4=CC=CC=C4F

InChI

InChI=1S/C25H24FN5O5/c1-15(32)27-18-10-8-16(9-11-18)13-20-28-22-23(29-20)30(12-4-7-21(33)34)25(36)31(24(22)35)14-17-5-2-3-6-19(17)26/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,27,32)(H,28,29)(H,33,34)