2-[(3-fluorophenyl)methylamino]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-fluorophenyl)methylamino]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 2-[(3-fluorophenyl)methylamino]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 2-[(3-fluorophenyl)methylamino]-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 2-[(3-fluorophenyl)methylamino]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 2-[(3-fluorobenzyl)amino]-N-(2-ketoazepan-3-yl)pyrimidine-5-carboxamide Formula: C18H20FN5O2 MolecularWeight: 357.382103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CN=C(N=C2)NCC3=CC(=CC=C3)F

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CN=C(N=C2)NCC3=CC(=CC=C3)F

InChI

InChI=1S/C18H20FN5O2/c19-14-5-3-4-12(8-14)9-21-18-22-10-13(11-23-18)16(25)24-15-6-1-2-7-20-17(15)26/h3-5,8,10-11,15H,1-2,6-7,9H2,(H,20,26)(H,24,25)(H,21,22,23)