ethyl 4-[4-(cyclohexylcarbamoyl)-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(cyclohexylcarbamoyl)-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(cyclohexylcarbamoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(cyclohexylamino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(cyclohexylcarbamoyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(cyclohexylcarbamoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)NC3CCCCC3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)NC3CCCCC3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H35N5O4/c1-4-36-26(34)22-23(20-11-7-5-8-12-20)28-19(3)29-24(22)25(33)31-15-16-32(18(2)17-31)27(35)30-21-13-9-6-10-14-21/h5,7-8,11-12,18,21H,4,6,9-10,13-17H2,1-3H3,(H,30,35)