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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=C(C=CC(=C4)S(=O)(=O)CC)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=C(C=CC(=C4)S(=O)(=O)CC)O

InChI

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