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

Systemtic Name: 4-[8-[(4-acetamidophenyl)methyl]-1-[(2-fluorophenyl)methyl]-2,6-bis(oxidanylidene)-7H-purin-3-yl]-N-(phenylmethyl)butanamide Openeye Name: 4-[8-[(4-acetamidophenyl)methyl]-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-3-yl]-N-benzyl-butanamide CAS Name: 4-[8-[(4-acetamidophenyl)methyl]-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-3-yl]-N-(phenylmethyl)butanamide IUPAC Name: 4-[8-[(4-acetamidophenyl)methyl]-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-3-yl]-N-benzylbutanamide Traditional Name: 4-[8-(4-acetamidobenzyl)-1-(2-fluorobenzyl)-2,6-diketo-7H-purin-3-yl]-N-benzyl-butyramide Formula: C32H31FN6O4 MolecularWeight: 582.624743

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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)NCC4=CC=CC=C4)CC5=CC=CC=C5F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC2=NC3=C(N2)C(=O)N(C(=O)N3CCCC(=O)NCC4=CC=CC=C4)CC5=CC=CC=C5F

InChI

InChI=1S/C32H31FN6O4/c1-21(40)35-25-15-13-22(14-16-25)18-27-36-29-30(37-27)38(17-7-12-28(41)34-19-23-8-3-2-4-9-23)32(43)39(31(29)42)20-24-10-5-6-11-26(24)33/h2-6,8-11,13-16H,7,12,17-20H2,1H3,(H,34,41)(H,35,40)(H,36,37)