N-(2-azanylethyl)-1-(4-fluorophenyl)carbonyl-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-fluorophenyl)carbonyl-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-fluorophenyl)-oxomethyl]-3-(1-oxo-2-thiophen-2-ylethyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-3-(2-thiophen-2-ylacetyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide Formula: C20H23FN4O3S MolecularWeight: 418.485023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NCCN)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NCCN)C(=O)CC3=CC=CS3

InChI

InChI=1S/C20H23FN4O3S/c21-15-6-4-14(5-7-15)20(28)25-11-2-10-24(19(25)18(27)23-9-8-22)17(26)13-16-3-1-12-29-16/h1,3-7,12,19H,2,8-11,13,22H2,(H,23,27)