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

Systemtic Name: 4-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 2-hydroxy-4-[(6-methoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 2-hydroxy-4-[(6-methoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-carbomethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-benzoate Formula: C16H12N3O5S- MolecularWeight: 358.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)C(=O)[O-])O)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)C(=O)[O-])O)C(=O)OC

InChI

InChI=1S/C16H13N3O5S/c1-7-11-13(17-6-18-14(11)25-12(7)16(23)24-2)19-8-3-4-9(15(21)22)10(20)5-8/h3-6,20H,1-2H3,(H,21,22)(H,17,18,19)/p-1