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

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-ethylsulfonyl-phenol Openeye Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-ethylsulfonyl-phenol CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]-4-ethylsulfonylphenol IUPAC Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-ethylsulfonylphenol Traditional Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-esyl-phenol Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC2=C3C(=CSC3=NC=N2)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC2=C3C(=CSC3=NC=N2)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C22H21N3O3S2/c1-4-30(27,28)16-7-8-19(26)18(10-16)25-21-20-17(11-29-22(20)24-12-23-21)15-6-5-13(2)14(3)9-15/h5-12,26H,4H2,1-3H3,(H,23,24,25)