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

Systemtic Name: 2-[[5-(4-chlorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-ethylsulfonyl-phenol Openeye Name: 2-[[5-(4-chlorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-ethylsulfonyl-phenol CAS Name: 2-[[5-(4-chlorophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-4-ethylsulfonylphenol IUPAC Name: 2-[[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-4-ethylsulfonylphenol Traditional Name: 2-[[5-(4-chlorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-esyl-phenol Formula: C21H18ClN3O3S2 MolecularWeight: 459.96892

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S2/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)