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

Systemtic Name: 2-methylpropyl 5-methyl-4-[(3-nitrophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(3-nitroanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-10(2)8-26-18(23)15-11(3)14-16(19-9-20-17(14)27-15)21-12-5-4-6-13(7-12)22(24)25/h4-7,9-10H,8H2,1-3H3,(H,19,20,21)