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

Systemtic Name: ethyl 3-methyl-4-[[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-4-[[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-4-[[3-methyl-4-(3-methyl-1-oxobutyl)-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-(3-methylbutanoyl)piperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-isovaleryl-3-methyl-piperazino)methyl]-2-keto-3-methyl-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H40N4O5 MolecularWeight: 548.6731

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)C)CN4CCN(C(C4)C)C(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)C)CN4CCN(C(C4)C)C(=O)CC(C)C

InChI

InChI=1S/C31H40N4O5/c1-6-39-30(37)28-26(20-34-15-16-35(22(4)19-34)27(36)17-21(2)3)33(5)31(38)32-29(28)23-11-10-14-25(18-23)40-24-12-8-7-9-13-24/h7-14,18,21-22,29H,6,15-17,19-20H2,1-5H3,(H,32,38)