5-fluoranyl-N4-(4-propan-2-yloxyphenyl)-N2-pyrrol-1-yl-pyrimidine-2,4-diamine

Systemtic Name: 5-fluoranyl-N4-(4-propan-2-yloxyphenyl)-N2-pyrrol-1-yl-pyrimidine-2,4-diamine Openeye Name: 5-fluoro-N4-(4-isopropoxyphenyl)-N2-pyrrol-1-yl-pyrimidine-2,4-diamine CAS Name: 5-fluoro-N4-(4-propan-2-yloxyphenyl)-N2-(1-pyrrolyl)pyrimidine-2,4-diamine IUPAC Name: 5-fluoro-4-N-(4-propan-2-yloxyphenyl)-2-N-pyrrol-1-ylpyrimidine-2,4-diamine Traditional Name: [5-fluoro-4-(4-isopropoxyanilino)pyrimidin-2-yl]-pyrrol-1-yl-amine Formula: C17H18FN5O MolecularWeight: 327.356123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC2=NC(=NC=C2F)NN3C=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC2=NC(=NC=C2F)NN3C=CC=C3

InChI

InChI=1S/C17H18FN5O/c1-12(2)24-14-7-5-13(6-8-14)20-16-15(18)11-19-17(21-16)22-23-9-3-4-10-23/h3-12H,1-2H3,(H2,19,20,21,22)