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

Systemtic Name: O2-tert-butyl O4-methyl 5-[[(2-chloranylpyrimidin-4-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 5-[[(2-chloropyrimidin-4-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[(2-chloro-4-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-[[(2-chloropyrimidin-4-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(2-chloropyrimidin-4-yl)amino]methyl]-3-ethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C18H23ClN4O4 MolecularWeight: 394.85262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC2=NC(=NC=C2)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC2=NC(=NC=C2)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23ClN4O4/c1-6-10-13(15(24)26-5)11(9-21-12-7-8-20-17(19)23-12)22-14(10)16(25)27-18(2,3)4/h7-8,22H,6,9H2,1-5H3,(H,20,21,23)