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

Systemtic Name: methyl 4-[4-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-[(2-ethoxy-2-oxo-ethyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(2-ethoxy-2-keto-ethyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C21H31N5O6 MolecularWeight: 449.50074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C)C(C)C)C(=O)OC

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C)C(C)C)C(=O)OC

InChI

InChI=1S/C21H31N5O6/c1-7-32-15(27)10-22-21(30)26-9-8-25(11-13(26)4)19(28)18-16(20(29)31-6)17(12(2)3)23-14(5)24-18/h12-13H,7-11H2,1-6H3,(H,22,30)