phenyl 2-(2-azanylethylcarbamoyl)-3-(3,4-dichlorophenyl)carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: phenyl 2-(2-azanylethylcarbamoyl)-3-(3,4-dichlorophenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 2-(2-aminoethylcarbamoyl)-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-[(3,4-dichlorophenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-(2-aminoethylcarbamoyl)-3-(3,4-dichlorobenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-(3,4-dichlorobenzoyl)hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C21H22Cl2N4O4 MolecularWeight: 465.32978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)OC2=CC=CC=C2)C(=O)NCCN)C(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(C(N(C1)C(=O)OC2=CC=CC=C2)C(=O)NCCN)C(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O4/c22-16-8-7-14(13-17(16)23)20(29)26-11-4-12-27(19(26)18(28)25-10-9-24)21(30)31-15-5-2-1-3-6-15/h1-3,5-8,13,19H,4,9-12,24H2,(H,25,28)