4-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-benzoic acid CAS Name: 4-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)amino]-2-hydroxybenzoic acid IUPAC Name: 4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid Traditional Name: 4-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-benzoic acid Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C)NC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C)NC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C16H15N3O3S/c1-3-10-7-12-14(17-8(2)18-15(12)23-10)19-9-4-5-11(16(21)22)13(20)6-9/h4-7,20H,3H2,1-2H3,(H,21,22)(H,17,18,19)