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

Systemtic Name: 4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-chloranyl-2-methoxy-benzoate Openeye Name: 4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-chloro-2-methoxy-benzoate CAS Name: 4-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]-5-chloro-2-methoxybenzoate IUPAC Name: 4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-chloro-2-methoxybenzoate Traditional Name: 4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-chloro-2-methoxy-benzoate Formula: C20H12BrClN3O3S- MolecularWeight: 489.74958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)[O-])Cl)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)[O-])Cl)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H13BrClN3O3S/c1-28-16-7-15(14(22)6-12(16)20(26)27)25-18-17-13(8-29-19(17)24-9-23-18)10-2-4-11(21)5-3-10/h2-9H,1H3,(H,26,27)(H,23,24,25)/p-1