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

Systemtic Name: 5-chloranyl-2-methoxy-4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 5-chloro-2-methoxy-4-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 5-chloro-2-methoxy-4-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 5-chloro-2-methoxy-4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 5-chloro-2-methoxy-4-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Formula: C21H15ClN3O3S- MolecularWeight: 424.8801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=C(C=C(C(=C4)OC)C(=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=C(C=C(C(=C4)OC)C(=O)[O-])Cl

InChI

InChI=1S/C21H16ClN3O3S/c1-11-3-5-12(6-4-11)14-9-29-20-18(14)19(23-10-24-20)25-16-8-17(28-2)13(21(26)27)7-15(16)22/h3-10H,1-2H3,(H,26,27)(H,23,24,25)/p-1