(phenylmethyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-[(3-methylphenyl)carbamoyl]-1,3-diazinane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-[(3-methylphenyl)carbamoyl]-1,3-diazinane-1-carboxylate Openeye Name: benzyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(m-tolylcarbamoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-[(3-methylanilino)-oxomethyl]-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-aminocyclohexyl)carbamoyl]-3-[(3-methylphenyl)carbamoyl]-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-(m-tolylcarbamoyl)hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O4/c1-19-7-5-10-23(17-19)30-26(34)31-15-6-16-32(27(35)36-18-20-8-3-2-4-9-20)25(31)24(33)29-22-13-11-21(28)12-14-22/h2-5,7-10,17,21-22,25H,6,11-16,18,28H2,1H3,(H,29,33)(H,30,34)