methyl 4-[[5-fluoranyl-2-[(4-propan-2-yloxyphenyl)amino]pyrimidin-4-yl]amino]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[[5-fluoranyl-2-[(4-propan-2-yloxyphenyl)amino]pyrimidin-4-yl]amino]-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[[5-fluoro-2-(4-isopropoxyanilino)pyrimidin-4-yl]amino]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[5-fluoro-2-(4-propan-2-yloxyanilino)-4-pyrimidinyl]amino]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[5-fluoro-2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]amino]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[[5-fluoro-2-(4-isopropoxyanilino)pyrimidin-4-yl]amino]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C20H22FN5O3 MolecularWeight: 399.418783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CN(C(=C3)C(=O)OC)C)F

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CN(C(=C3)C(=O)OC)C)F

InChI

InChI=1S/C20H22FN5O3/c1-12(2)29-15-7-5-13(6-8-15)24-20-22-10-16(21)18(25-20)23-14-9-17(19(27)28-4)26(3)11-14/h5-12H,1-4H3,(H2,22,23,24,25)