tert-butyl 4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloroanilino)pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-(3-chloroanilino)-4-pyrimidinyl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloroanilino)pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(3-chloroanilino)pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C26H25ClN4O2 MolecularWeight: 460.9553

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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)Cl

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)Cl

InChI

InChI=1S/C26H25ClN4O2/c1-16-21(20-13-14-28-25(31-20)30-19-12-8-11-18(27)15-19)22(17-9-6-5-7-10-17)23(29-16)24(32)33-26(2,3)4/h5-15,29H,1-4H3,(H,28,30,31)