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

Systemtic Name: ethyl 4-[[4-(tert-butylcarbamoyl)-3-methyl-piperazin-1-yl]methyl]-3-ethyl-2-oxidanylidene-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(tert-butylcarbamoyl)-3-methyl-piperazin-1-yl]methyl]-3-ethyl-6-(4-isopropylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(tert-butylamino)-oxomethyl]-3-methyl-1-piperazinyl]methyl]-3-ethyl-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-3-ethyl-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(tert-butylcarbamoyl)-3-methyl-piperazino]methyl]-3-ethyl-2-keto-6-p-cumenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H45N5O4 MolecularWeight: 527.6987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45N5O4/c1-9-33-23(18-32-15-16-34(20(5)17-32)28(37)31-29(6,7)8)24(26(35)38-10-2)25(30-27(33)36)22-13-11-21(12-14-22)19(3)4/h11-14,19-20,25H,9-10,15-18H2,1-8H3,(H,30,36)(H,31,37)