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

Systemtic Name: 2-chloranyl-5-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 2-chloro-5-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 2-chloro-5-[[5-(4-ethylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 2-chloro-5-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-chloro-5-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Formula: C21H15ClN3O2S- MolecularWeight: 408.8807

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C21H16ClN3O2S/c1-2-12-3-5-13(6-4-12)16-10-28-20-18(16)19(23-11-24-20)25-14-7-8-17(22)15(9-14)21(26)27/h3-11H,2H2,1H3,(H,26,27)(H,23,24,25)/p-1