(5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-(3,4-dichlorophenyl)carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-(3,4-dichlorophenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 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 (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 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 (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H36Cl2N4O4 MolecularWeight: 527.48374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=C(C=C3)Cl)Cl)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC(=C(C=C3)Cl)Cl)C(C)C

InChI

InChI=1S/C25H36Cl2N4O4/c1-15(2)18-7-5-16(3)13-21(18)35-25(34)31-12-4-11-30(23(31)22(32)29-10-9-28)24(33)17-6-8-19(26)20(27)14-17/h6,8,14-16,18,21,23H,4-5,7,9-13,28H2,1-3H3,(H,29,32)