N2-(2-azanylethyl)-3-(6-chloranylpyridin-3-yl)carbonyl-N1-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-3-(6-chloranylpyridin-3-yl)carbonyl-N1-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-(6-chloropyridine-3-carbonyl)-N1-(m-tolyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-3-[(6-chloro-3-pyridinyl)-oxomethyl]-N1-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-(6-chloropyridine-3-carbonyl)-1-N-(3-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-(6-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=CN=C(C=C3)Cl

Isomeric SMILES

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

InChI

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