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

Systemtic Name: N2-(2-azanylethyl)-3-(2-chloranylpyridin-3-yl)carbonyl-N1-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-(2-chloropyridine-3-carbonyl)-N1-(m-tolyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-3-[(2-chloro-3-pyridinyl)-oxomethyl]-N1-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-(2-chloropyridine-3-carbonyl)-1-N-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-(2-chloronicotinoyl)-N-(m-tolyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C21H25ClN6O3 MolecularWeight: 444.9146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C21H25ClN6O3/c1-14-5-2-6-15(13-14)26-21(31)28-12-4-11-27(19(28)18(29)25-10-8-23)20(30)16-7-3-9-24-17(16)22/h2-3,5-7,9,13,19H,4,8,10-12,23H2,1H3,(H,25,29)(H,26,31)