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

Systemtic Name: 2-methylpropyl 4-[(2-methoxy-5-nitro-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(2-methoxy-5-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-methoxy-5-nitroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(2-methoxy-5-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-methoxy-5-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5S/c1-10(2)8-28-19(24)16-11(3)15-17(20-9-21-18(15)29-16)22-13-7-12(23(25)26)5-6-14(13)27-4/h5-7,9-10H,8H2,1-4H3,(H,20,21,22)