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

Systemtic Name: methyl 4-[4-(3-bromophenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(3-bromobenzoyl)-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(3-bromophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(3-bromobenzoyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3-bromobenzoyl)-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C23H27BrN4O4 MolecularWeight: 503.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)Br)C(=O)C3=C(C(=NC(=N3)C)C(C)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)Br)C(=O)C3=C(C(=NC(=N3)C)C(C)C)C(=O)OC

InChI

InChI=1S/C23H27BrN4O4/c1-13(2)19-18(23(31)32-5)20(26-15(4)25-19)22(30)27-9-10-28(14(3)12-27)21(29)16-7-6-8-17(24)11-16/h6-8,11,13-14H,9-10,12H2,1-5H3