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

Systemtic Name: N2-(2-azanylethyl)-N1-(3-methylphenyl)-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(m-tolyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-methylphenyl)-3-(1-oxo-2-thiophen-2-ylethyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(m-tolyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-1,2-dicarboxamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NCCN)C(=O)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NCCN)C(=O)CC3=CC=CS3

InChI

InChI=1S/C21H27N5O3S/c1-15-5-2-6-16(13-15)24-21(29)26-11-4-10-25(20(26)19(28)23-9-8-22)18(27)14-17-7-3-12-30-17/h2-3,5-7,12-13,20H,4,8-11,14,22H2,1H3,(H,23,28)(H,24,29)