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

Systemtic Name: ethyl 4-[4-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(2-ethoxy-2-oxo-ethyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(2-ethoxy-2-keto-ethyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H31N5O6 MolecularWeight: 497.54354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCN(CC1C)C(=O)C2=NC(=NC(=C2C(=O)OCC)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCN(CC1C)C(=O)C2=NC(=NC(=C2C(=O)OCC)C3=CC=CC=C3)C

InChI

InChI=1S/C25H31N5O6/c1-5-35-19(31)14-26-25(34)30-13-12-29(15-16(30)3)23(32)22-20(24(33)36-6-2)21(27-17(4)28-22)18-10-8-7-9-11-18/h7-11,16H,5-6,12-15H2,1-4H3,(H,26,34)