3-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid

Systemtic Name: 3-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid CAS Name: 3-[(6-ethoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)C(=O)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)C(=O)O)C)C

InChI

InChI=1S/C18H17N3O4S/c1-4-25-18(24)14-10(3)13-15(19-8-20-16(13)26-14)21-12-7-11(17(22)23)6-5-9(12)2/h5-8H,4H2,1-3H3,(H,22,23)(H,19,20,21)