5-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoate

Systemtic Name: 5-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoate Openeye Name: 5-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoate CAS Name: 5-[[5-(3,4-dimethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxybenzoate Traditional Name: 5-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoate Formula: C21H16N3O5S- MolecularWeight: 422.43384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)O)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)O)C(=O)[O-])OC

InChI

InChI=1S/C21H17N3O5S/c1-28-16-6-3-11(7-17(16)29-2)14-9-30-20-18(14)19(22-10-23-20)24-12-4-5-15(25)13(8-12)21(26)27/h3-10,25H,1-2H3,(H,26,27)(H,22,23,24)/p-1