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

Systemtic Name: ethyl 3-ethyl-4-[[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[[4-(3-methoxybenzoyl)-3-methyl-piperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[4-[(3-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-[(4-m-anisoyl-3-methyl-piperazino)methyl]-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C35H40N4O6 MolecularWeight: 612.7153

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC)CN4CCN(C(C4)C)C(=O)C5=CC(=CC=C5)OC

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC)CN4CCN(C(C4)C)C(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C35H40N4O6/c1-5-38-30(23-37-18-19-39(24(3)22-37)33(40)26-13-11-16-28(21-26)43-4)31(34(41)44-6-2)32(36-35(38)42)25-12-10-17-29(20-25)45-27-14-8-7-9-15-27/h7-17,20-21,24,32H,5-6,18-19,22-23H2,1-4H3,(H,36,42)