O4-methyl O3-(phenylmethyl) 2,5-dimethyl-1-(pyrimidin-2-ylamino)pyrrole-3,4-dicarboxylate

Systemtic Name: O4-methyl O3-(phenylmethyl) 2,5-dimethyl-1-(pyrimidin-2-ylamino)pyrrole-3,4-dicarboxylate Openeye Name: O3-benzyl O4-methyl 2,5-dimethyl-1-(pyrimidin-2-ylamino)pyrrole-3,4-dicarboxylate CAS Name: 2,5-dimethyl-1-(2-pyrimidinylamino)pyrrole-3,4-dicarboxylic acid O4-methyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 4-O-methyl 2,5-dimethyl-1-(pyrimidin-2-ylamino)pyrrole-3,4-dicarboxylate Traditional Name: 2,5-dimethyl-1-(2-pyrimidylamino)pyrrole-3,4-dicarboxylic acid O3-benzyl ester O4-methyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-13-16(18(25)27-3)17(19(26)28-12-15-8-5-4-6-9-15)14(2)24(13)23-20-21-10-7-11-22-20/h4-11H,12H2,1-3H3,(H,21,22,23)