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

Systemtic Name: ethyl 4-[4-[(3-ethylphenyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(3-ethylphenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(3-ethylanilino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-ethylphenyl)carbamoyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(3-ethylphenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H33N5O4 MolecularWeight: 515.60342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2C)C(=O)C3=NC(=NC(=C3C(=O)OCC)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2C)C(=O)C3=NC(=NC(=C3C(=O)OCC)C4=CC=CC=C4)C

InChI

InChI=1S/C29H33N5O4/c1-5-21-11-10-14-23(17-21)32-29(37)34-16-15-33(18-19(34)3)27(35)26-24(28(36)38-6-2)25(30-20(4)31-26)22-12-8-7-9-13-22/h7-14,17,19H,5-6,15-16,18H2,1-4H3,(H,32,37)