4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-5-chloranyl-2-methoxy-benzoate Openeye Name: 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-5-chloro-2-methoxy-benzoate CAS Name: 4-[[5-(4-bromophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-5-chloro-2-methoxybenzoate IUPAC Name: 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-5-chloro-2-methoxybenzoate Traditional Name: 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-5-chloro-2-methoxy-benzoate Formula: C21H14BrClN3O3S- MolecularWeight: 503.77616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)NC3=C(C=C(C(=C3)OC)C(=O)[O-])Cl)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NC3=C(C=C(C(=C3)OC)C(=O)[O-])Cl)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrClN3O3S/c1-10-17(11-3-5-12(22)6-4-11)18-19(24-9-25-20(18)30-10)26-15-8-16(29-2)13(21(27)28)7-14(15)23/h3-9H,1-2H3,(H,27,28)(H,24,25,26)/p-1