N2-(2-azanylethyl)-N1-(3-fluorophenyl)-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(3-fluorophenyl)-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(3-fluorophenyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-fluorophenyl)-3-(1-oxo-2-thiophen-2-ylethyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(3-fluorophenyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-1,2-dicarboxamide Formula: C20H24FN5O3S MolecularWeight: 433.499663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NCCN)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(C(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NCCN)C(=O)CC3=CC=CS3

InChI

InChI=1S/C20H24FN5O3S/c21-14-4-1-5-15(12-14)24-20(29)26-10-3-9-25(19(26)18(28)23-8-7-22)17(27)13-16-6-2-11-30-16/h1-2,4-6,11-12,19H,3,7-10,13,22H2,(H,23,28)(H,24,29)