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

Systemtic Name: 2-methylpropyl 5-methyl-4-[(2-methyl-5-nitro-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 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-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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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)OCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-10(2)8-27-19(24)16-12(4)15-17(20-9-21-18(15)28-16)22-14-7-13(23(25)26)6-5-11(14)3/h5-7,9-10H,8H2,1-4H3,(H,20,21,22)