prop-2-enyl 4-[4-(2-bromophenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-[4-(2-bromophenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-[4-(2-bromobenzoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(2-bromophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[4-(2-bromobenzoyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-bromobenzoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid allyl ester Formula: C23H25BrN4O4 MolecularWeight: 501.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2Br)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC=C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2Br)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC=C

InChI

InChI=1S/C23H25BrN4O4/c1-5-12-32-23(31)19-15(3)25-16(4)26-20(19)22(30)27-10-11-28(14(2)13-27)21(29)17-8-6-7-9-18(17)24/h5-9,14H,1,10-13H2,2-4H3