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

Systemtic Name: ethyl 4-[4-[(2-bromophenyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(2-bromophenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(2-bromoanilino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-bromophenyl)carbamoyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(2-bromophenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H30BrN5O4 MolecularWeight: 532.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)NC3=CC=CC=C3Br)C

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)NC3=CC=CC=C3Br)C

InChI

InChI=1S/C24H30BrN5O4/c1-5-9-19-20(23(32)34-6-2)21(27-16(4)26-19)22(31)29-12-13-30(15(3)14-29)24(33)28-18-11-8-7-10-17(18)25/h7-8,10-11,15H,5-6,9,12-14H2,1-4H3,(H,28,33)