N2-(2-azanylethyl)-N1-ethyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-ethyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-ethyl-3-(3-methylbenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-ethyl-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-ethyl-3-(3-methylbenzoyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-ethyl-3-m-toluoyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O3/c1-3-20-18(26)23-11-5-10-22(16(23)15(24)21-9-8-19)17(25)14-7-4-6-13(2)12-14/h4,6-7,12,16H,3,5,8-11,19H2,1-2H3,(H,20,26)(H,21,24)