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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-[(3-fluorophenyl)carbamoyl]-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(2-aminoethylcarbamoyl)-3-[(3-fluorophenyl)carbamoyl]hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-[(3-fluoroanilino)-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-fluorophenyl)carbamoyl]-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-[(3-fluorophenyl)carbamoyl]hexahydropyrimidine-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H38FN5O4 MolecularWeight: 491.598723

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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)F)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H38FN5O4/c1-16(2)20-9-8-17(3)14-21(20)35-25(34)31-13-5-12-30(23(31)22(32)28-11-10-27)24(33)29-19-7-4-6-18(26)15-19/h4,6-7,15-17,20-21,23H,5,8-14,27H2,1-3H3,(H,28,32)(H,29,33)