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

Systemtic Name: 5-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-chloranyl-benzoate Openeye Name: 5-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-chloro-benzoate CAS Name: 5-[[5-(4-bromophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-2-chlorobenzoate IUPAC Name: 5-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-2-chlorobenzoate Traditional Name: 5-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-chloro-benzoate Formula: C20H12BrClN3O2S- MolecularWeight: 473.75018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrClN3O2S/c1-10-16(11-2-4-12(21)5-3-11)17-18(23-9-24-19(17)28-10)25-13-6-7-15(22)14(8-13)20(26)27/h2-9H,1H3,(H,26,27)(H,23,24,25)/p-1