ethyl 5-fluoranyl-2,4-bis(oxidanylidene)-6-[(phenylmethyl)amino]-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 5-fluoranyl-2,4-bis(oxidanylidene)-6-[(phenylmethyl)amino]-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(benzylamino)-5-fluoro-2,6-dioxo-hexahydropyrimidine-5-carboxylate CAS Name: 5-fluoro-2,4-dioxo-6-[(phenylmethyl)amino]-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzylamino)-5-fluoro-2,6-dioxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(benzylamino)-5-fluoro-2,6-diketo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C14H16FN3O4 MolecularWeight: 309.292943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(NC(=O)NC1=O)NCC2=CC=CC=C2)F

Isomeric SMILES

CCOC(=O)C1(C(NC(=O)NC1=O)NCC2=CC=CC=C2)F

InChI

InChI=1S/C14H16FN3O4/c1-2-22-12(20)14(15)10(17-13(21)18-11(14)19)16-8-9-6-4-3-5-7-9/h3-7,10,16H,2,8H2,1H3,(H2,17,18,19,21)