4-ethylsulfonyl-2-[[5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]phenol

Systemtic Name: 4-ethylsulfonyl-2-[[5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]phenol Openeye Name: 4-ethylsulfonyl-2-[[5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]phenol CAS Name: 4-ethylsulfonyl-2-[[5-(4-fluorophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]phenol IUPAC Name: 4-ethylsulfonyl-2-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenol Traditional Name: 4-esyl-2-[[5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]phenol Formula: C21H18FN3O3S2 MolecularWeight: 443.514323

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O3S2/c1-3-30(27,28)15-8-9-17(26)16(10-15)25-20-19-18(13-4-6-14(22)7-5-13)12(2)29-21(19)24-11-23-20/h4-11,26H,3H2,1-2H3,(H,23,24,25)