tert-butyl 4-[2-[(6-chloranylpyridin-3-yl)amino]pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-[2-[(6-chloranylpyridin-3-yl)amino]pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-[2-[(6-chloro-3-pyridyl)amino]pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[(6-chloro-3-pyridinyl)amino]-4-pyrimidinyl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(6-chloropyridin-3-yl)amino]pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(6-chloro-3-pyridyl)amino]pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C25H24ClN5O2 MolecularWeight: 461.94336

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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=CN=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN5O2/c1-15-20(18-12-13-27-24(31-18)30-17-10-11-19(26)28-14-17)21(16-8-6-5-7-9-16)22(29-15)23(32)33-25(2,3)4/h5-14,29H,1-4H3,(H,27,30,31)