N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(6-chloropyridine-3-carbonyl)-3-(3-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(6-chloro-3-pyridinyl)-oxomethyl]-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(6-chloropyridine-3-carbonyl)-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(6-chloronicotinoyl)-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O3/c1-14-4-2-5-15(12-14)20(29)26-10-3-11-27(19(26)18(28)24-9-8-23)21(30)16-6-7-17(22)25-13-16/h2,4-7,12-13,19H,3,8-11,23H2,1H3,(H,24,28)