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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CN(C(=C3)C(=O)OC)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CN(C(=C3)C(=O)OC)C

InChI

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