tert-butyl 5-methyl-3-phenyl-4-(2-phenylazanylpyrimidin-4-yl)-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-methyl-3-phenyl-4-(2-phenylazanylpyrimidin-4-yl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-(2-anilinopyrimidin-4-yl)-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-anilino-4-pyrimidinyl)-5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-anilinopyrimidin-4-yl)-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-anilinopyrimidin-4-yl)-5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C(=O)OC(C)(C)C)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(N1)C(=O)OC(C)(C)C)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2/c1-17-21(20-15-16-27-25(30-20)29-19-13-9-6-10-14-19)22(18-11-7-5-8-12-18)23(28-17)24(31)32-26(2,3)4/h5-16,28H,1-4H3,(H,27,29,30)