5-methyl-4-[[4-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-4-[[4-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-[4-(2-oxido-2-oxo-ethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(2-oxido-2-oxoethyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-[4-(2-oxido-2-oxoethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(2-keto-2-oxido-ethyl)anilino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H11N3O4S-2 MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S/c1-8-12-14(17-7-18-15(12)24-13(8)16(22)23)19-10-4-2-9(3-5-10)6-11(20)21/h2-5,7H,6H2,1H3,(H,20,21)(H,22,23)(H,17,18,19)/p-2