[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-4-imidazolecarboxylic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)imidazole-4-carboxylic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C18H14FN7O3 MolecularWeight: 395.347263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CN=CN3C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CN=CN3C4=CC=C(C=C4)F

InChI

InChI=1S/C18H14FN7O3/c1-10(17(27)25-16-14-15(22-7-21-14)23-8-24-16)29-18(28)13-6-20-9-26(13)12-4-2-11(19)3-5-12/h2-10H,1H3,(H2,21,22,23,24,25,27)