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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC=C(C=C3)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC=C(C=C3)C(=O)O)C(=O)OC

InChI

InChI=1S/C17H15N3O4S/c1-9-12-14(18-7-10-3-5-11(6-4-10)16(21)22)19-8-20-15(12)25-13(9)17(23)24-2/h3-6,8H,7H2,1-2H3,(H,21,22)(H,18,19,20)