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

Systemtic Name: 5-methyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(2-hydroxy-5-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-hydroxy-5-nitroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(2-hydroxy-5-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-hydroxy-5-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C14H9N4O5S- MolecularWeight: 345.31006

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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(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O5S/c1-6-10-12(15-5-16-13(10)24-11(6)14(20)21)17-8-4-7(18(22)23)2-3-9(8)19/h2-5,19H,1H3,(H,20,21)(H,15,16,17)/p-1