O2-tert-butyl O4-methyl 5-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-methyl 5-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 5-[[(5-bromopyrimidin-2-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[(5-bromo-2-pyrimidinyl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 5-[[(5-bromopyrimidin-2-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(5-bromopyrimidin-2-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C18H23BrN4O4 MolecularWeight: 439.30362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC2=NC=C(C=N2)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC2=NC=C(C=N2)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23BrN4O4/c1-6-11-13(15(24)26-5)12(9-22-17-20-7-10(19)8-21-17)23-14(11)16(25)27-18(2,3)4/h7-8,23H,6,9H2,1-5H3,(H,20,21,22)