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

Systemtic Name: 2-methoxyethyl 5-methyl-4-[(2-methyl-5-nitro-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 5-methyl-4-(2-methyl-5-nitro-anilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-methyl-5-nitroanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-methyl-4-(2-methyl-5-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(2-methyl-5-nitro-anilino)thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C3C(=C(SC3=NC=N2)C(=O)OCCOC)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C3C(=C(SC3=NC=N2)C(=O)OCCOC)C

InChI

InChI=1S/C18H18N4O5S/c1-10-4-5-12(22(24)25)8-13(10)21-16-14-11(2)15(18(23)27-7-6-26-3)28-17(14)20-9-19-16/h4-5,8-9H,6-7H2,1-3H3,(H,19,20,21)