2,5-dimethyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2,5-dimethyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(2-hydroxy-5-nitro-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-hydroxy-5-nitroanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(2-hydroxy-5-nitroanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-hydroxy-5-nitro-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H11N4O5S- MolecularWeight: 359.33664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O5S/c1-6-11-13(16-7(2)17-14(11)25-12(6)15(21)22)18-9-5-8(19(23)24)3-4-10(9)20/h3-5,20H,1-2H3,(H,21,22)(H,16,17,18)/p-1