methyl 4-(4-butanoyl-3-methyl-piperazin-1-yl)carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(4-butanoyl-3-methyl-piperazin-1-yl)carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-(4-butanoyl-3-methyl-piperazine-1-carbonyl)-6-isopropyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-butanoyl-3-methylpiperazine-1-carbonyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-(4-butyryl-3-methyl-piperazine-1-carbonyl)-6-isopropyl-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C(C)C)C(=O)OC

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C(C)C)C(=O)OC

InChI

InChI=1S/C25H32N4O4/c1-6-10-19(30)29-14-13-28(15-17(29)4)24(31)22-20(25(32)33-5)21(16(2)3)26-23(27-22)18-11-8-7-9-12-18/h7-9,11-12,16-17H,6,10,13-15H2,1-5H3