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

Systemtic Name: 3-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid CAS Name: 3-[(6-methoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(6-methoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(6-carbomethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=C(SC3=NC=N2)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=C(SC3=NC=N2)C(=O)OC)C

InChI

InChI=1S/C17H15N3O4S/c1-8-4-5-10(16(21)22)6-11(8)20-14-12-9(2)13(17(23)24-3)25-15(12)19-7-18-14/h4-7H,1-3H3,(H,21,22)(H,18,19,20)