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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1C)CC2=C(C(NC(=O)N2C)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCNC(=O)N1CCN(CC1C)CC2=C(C(NC(=O)N2C)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCC

InChI

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