bis(phenylmethyl) 2,5-dimethyl-1-(pyrimidin-2-ylamino)pyrrole-3,4-dicarboxylate

Systemtic Name: bis(phenylmethyl) 2,5-dimethyl-1-(pyrimidin-2-ylamino)pyrrole-3,4-dicarboxylate Openeye Name: dibenzyl 2,5-dimethyl-1-(pyrimidin-2-ylamino)pyrrole-3,4-dicarboxylate CAS Name: 2,5-dimethyl-1-(2-pyrimidinylamino)pyrrole-3,4-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2,5-dimethyl-1-(pyrimidin-2-ylamino)pyrrole-3,4-dicarboxylate Traditional Name: 2,5-dimethyl-1-(2-pyrimidylamino)pyrrole-3,4-dicarboxylic acid dibenzyl ester Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1NC2=NC=CC=N2)C)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(N1NC2=NC=CC=N2)C)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O4/c1-18-22(24(31)33-16-20-10-5-3-6-11-20)23(25(32)34-17-21-12-7-4-8-13-21)19(2)30(18)29-26-27-14-9-15-28-26/h3-15H,16-17H2,1-2H3,(H,27,28,29)