(5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-[(3-methylphenyl)carbamoyl]-1,3-diazinane-1-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-[(3-methylphenyl)carbamoyl]-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(2-aminoethylcarbamoyl)-3-(m-tolylcarbamoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-[(3-methylanilino)-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-methylphenyl)carbamoyl]-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-(m-tolylcarbamoyl)hexahydropyrimidine-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C26H41N5O4 MolecularWeight: 487.63484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)C(=O)NC3=CC=CC(=C3)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)C(=O)NC3=CC=CC(=C3)C)C(C)C

InChI

InChI=1S/C26H41N5O4/c1-17(2)21-10-9-19(4)16-22(21)35-26(34)31-14-6-13-30(24(31)23(32)28-12-11-27)25(33)29-20-8-5-7-18(3)15-20/h5,7-8,15,17,19,21-22,24H,6,9-14,16,27H2,1-4H3,(H,28,32)(H,29,33)