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

Systemtic Name: 2-chloranyl-5-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 2-chloro-5-[[5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 2-chloro-5-[[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 2-chloro-5-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-chloro-5-[(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Formula: C22H17ClN3O2S- MolecularWeight: 422.90728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O2S/c1-12(2)13-3-5-14(6-4-13)17-10-29-21-19(17)20(24-11-25-21)26-15-7-8-18(23)16(9-15)22(27)28/h3-12H,1-2H3,(H,27,28)(H,24,25,26)/p-1