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

Systemtic Name: 5-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoate Openeye Name: 5-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoate CAS Name: 5-[[5-(4-ethylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxybenzoate Traditional Name: 5-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoate Formula: C21H16N3O3S- MolecularWeight: 390.43504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)O)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)O)C(=O)[O-]

InChI

InChI=1S/C21H17N3O3S/c1-2-12-3-5-13(6-4-12)16-10-28-20-18(16)19(22-11-23-20)24-14-7-8-17(25)15(9-14)21(26)27/h3-11,25H,2H2,1H3,(H,26,27)(H,22,23,24)/p-1