methyl 4-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(3,3-dimethyl-1-oxobutyl)-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(3,3-dimethylbutanoyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)(C)C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C(C)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)(C)C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C(C)C)C(=O)OC

InChI

InChI=1S/C27H36N4O4/c1-17(2)22-21(26(34)35-7)23(29-24(28-22)19-11-9-8-10-12-19)25(33)30-13-14-31(18(3)16-30)20(32)15-27(4,5)6/h8-12,17-18H,13-16H2,1-7H3