N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoranyl-N2-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoranyl-N2-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-N2-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-N2-[4-(1-pyrrolidinylsulfonyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[5-fluoro-2-(4-pyrrolidinosulfonylanilino)pyrimidin-4-yl]amine Formula: C22H22FN5O4S MolecularWeight: 471.504583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC5=C(C=C4)OCCO5)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC5=C(C=C4)OCCO5)F

InChI

InChI=1S/C22H22FN5O4S/c23-18-14-24-22(27-21(18)25-16-5-8-19-20(13-16)32-12-11-31-19)26-15-3-6-17(7-4-15)33(29,30)28-9-1-2-10-28/h3-8,13-14H,1-2,9-12H2,(H2,24,25,26,27)