ethyl 4-[[4-(tert-butylcarbamoyl)-3-methyl-piperazin-1-yl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-(tert-butylcarbamoyl)-3-methyl-piperazin-1-yl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(tert-butylcarbamoyl)-3-methyl-piperazin-1-yl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(tert-butylamino)-oxomethyl]-3-methyl-1-piperazinyl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(tert-butylcarbamoyl)-3-methyl-piperazino]methyl]-3-ethyl-2-keto-6-(2-methoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H41N5O5 MolecularWeight: 515.64494

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2OC)C(=O)OCC)CN3CCN(C(C3)C)C(=O)NC(C)(C)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2OC)C(=O)OCC)CN3CCN(C(C3)C)C(=O)NC(C)(C)C

InChI

InChI=1S/C27H41N5O5/c1-8-31-20(17-30-14-15-32(18(3)16-30)26(35)29-27(4,5)6)22(24(33)37-9-2)23(28-25(31)34)19-12-10-11-13-21(19)36-7/h10-13,18,23H,8-9,14-17H2,1-7H3,(H,28,34)(H,29,35)