N2-(2-azanylethyl)-N3-ethyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2,3-tricarboxamide

Systemtic Name: N2-(2-azanylethyl)-N3-ethyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2,3-tricarboxamide Openeye Name: N2-(2-aminoethyl)-N3-ethyl-N1-(3-fluorophenyl)hexahydropyrimidine-1,2,3-tricarboxamide CAS Name: N2-(2-aminoethyl)-N3-ethyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2,3-tricarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-N-ethyl-1-N-(3-fluorophenyl)-1,3-diazinane-1,2,3-tricarboxamide Traditional Name: N2-(2-aminoethyl)-N3-ethyl-N1-(3-fluorophenyl)hexahydropyrimidine-1,2,3-tricarboxamide Formula: C17H25FN6O3 MolecularWeight: 380.417203

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(C1C(=O)NCCN)C(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CCNC(=O)N1CCCN(C1C(=O)NCCN)C(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C17H25FN6O3/c1-2-20-16(26)23-9-4-10-24(15(23)14(25)21-8-7-19)17(27)22-13-6-3-5-12(18)11-13/h3,5-6,11,15H,2,4,7-10,19H2,1H3,(H,20,26)(H,21,25)(H,22,27)