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

Systemtic Name: ethyl 4-[2-[(6-chloranylpyridin-3-yl)amino]pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H20ClN5O2 MolecularWeight: 433.8902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3=CN=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3=CN=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H20ClN5O2/c1-3-31-22(30)21-20(15-7-5-4-6-8-15)19(14(2)27-21)17-11-12-25-23(29-17)28-16-9-10-18(24)26-13-16/h4-13,27H,3H2,1-2H3,(H,25,28,29)