[4-[(5-azanyl-4-benzamido-1H-pyrimidin-4-yl)amino]-3-fluoranyl-2-(phenylcarbonyloxy)cyclopentyl]methyl benzoate

Systemtic Name: [4-[(5-azanyl-4-benzamido-1H-pyrimidin-4-yl)amino]-3-fluoranyl-2-(phenylcarbonyloxy)cyclopentyl]methyl benzoate Openeye Name: [4-[(5-amino-4-benzamido-1H-pyrimidin-4-yl)amino]-2-benzoyloxy-3-fluoro-cyclopentyl]methyl benzoate CAS Name: benzoic acid [4-[(5-amino-4-benzamido-1H-pyrimidin-4-yl)amino]-2-benzoyloxy-3-fluorocyclopentyl]methyl ester IUPAC Name: [4-[(5-amino-4-benzamido-1H-pyrimidin-4-yl)amino]-2-benzoyloxy-3-fluorocyclopentyl]methyl benzoate Traditional Name: benzoic acid [4-[(5-amino-4-benzamido-1H-pyrimidin-4-yl)amino]-2-benzoyloxy-3-fluoro-cyclopentyl]methyl ester Formula: C31H30FN5O5 MolecularWeight: 571.598803

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1NC2(C(=CNC=N2)N)NC(=O)C3=CC=CC=C3)F)OC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C(C(C(C1NC2(C(=CNC=N2)N)NC(=O)C3=CC=CC=C3)F)OC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H30FN5O5/c32-26-24(36-31(25(33)17-34-19-35-31)37-28(38)20-10-4-1-5-11-20)16-23(18-41-29(39)21-12-6-2-7-13-21)27(26)42-30(40)22-14-8-3-9-15-22/h1-15,17,19,23-24,26-27,36H,16,18,33H2,(H,34,35)(H,37,38)