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

Systemtic Name: 5-chloranyl-4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxy-benzoate Openeye Name: 5-chloro-4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxy-benzoate CAS Name: 5-chloro-4-[[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]-2-methoxybenzoate IUPAC Name: 5-chloro-4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methoxybenzoate Traditional Name: 5-chloro-2-methoxy-4-[(5-p-phenetylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Formula: C22H17ClN3O4S- MolecularWeight: 454.90608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=C(C=C(C(=C4)OC)C(=O)[O-])Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=C(C=C(C(=C4)OC)C(=O)[O-])Cl

InChI

InChI=1S/C22H18ClN3O4S/c1-3-30-13-6-4-12(5-7-13)15-10-31-21-19(15)20(24-11-25-21)26-17-9-18(29-2)14(22(27)28)8-16(17)23/h4-11H,3H2,1-2H3,(H,27,28)(H,24,25,26)/p-1