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

Systemtic Name: ethyl 4-[4-[(3,5-dimethoxyphenyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(3,5-dimethoxyphenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(3,5-dimethoxyanilino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3,5-dimethoxyphenyl)carbamoyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(3,5-dimethoxyphenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H33N5O6 MolecularWeight: 547.60222

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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)NC3=CC(=CC(=C3)OC)OC)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)NC3=CC(=CC(=C3)OC)OC)C)C4=CC=CC=C4

InChI

InChI=1S/C29H33N5O6/c1-6-40-28(36)24-25(20-10-8-7-9-11-20)30-19(3)31-26(24)27(35)33-12-13-34(18(2)17-33)29(37)32-21-14-22(38-4)16-23(15-21)39-5/h7-11,14-16,18H,6,12-13,17H2,1-5H3,(H,32,37)