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

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-6-(3-phenoxyphenyl)-4-[[4-(propylcarbamoyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-2-oxo-6-(3-phenoxyphenyl)-4-[[4-(propylcarbamoyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-2-oxo-4-[[4-[oxo(propylamino)methyl]-1-piperazinyl]methyl]-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-oxo-6-(3-phenoxyphenyl)-4-[[4-(propylcarbamoyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-6-(3-phenoxyphenyl)-4-[[4-(propylcarbamoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C30H39N5O5 MolecularWeight: 549.66116

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)CC2=C(C(NC(=O)N2CC)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)CC2=C(C(NC(=O)N2CC)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C30H39N5O5/c1-4-15-31-29(37)34-18-16-33(17-19-34)21-25-26(28(36)39-6-3)27(32-30(38)35(25)5-2)22-11-10-14-24(20-22)40-23-12-8-7-9-13-23/h7-14,20,27H,4-6,15-19,21H2,1-3H3,(H,31,37)(H,32,38)