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

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[(pyrimidin-2-ylamino)methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 3-ethyl-5-[(pyrimidin-2-ylamino)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[(2-pyrimidinylamino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 3-ethyl-5-[(pyrimidin-2-ylamino)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[(2-pyrimidylamino)methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-6-11-13(15(23)25-5)12(10-21-17-19-8-7-9-20-17)22-14(11)16(24)26-18(2,3)4/h7-9,22H,6,10H2,1-5H3,(H,19,20,21)