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

Systemtic Name: 2-methoxyethyl 5-methyl-4-[(5-nitro-2-oxidanyl-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 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]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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-carboxylic acid 2-methoxyethyl ester Formula: C17H16N4O6S MolecularWeight: 404.39714

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O6S/c1-9-13-15(20-11-7-10(21(24)25)3-4-12(11)22)18-8-19-16(13)28-14(9)17(23)27-6-5-26-2/h3-4,7-8,22H,5-6H2,1-2H3,(H,18,19,20)