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

Systemtic Name: 2-methylpropyl 4-[(5-chloranyl-2-oxidanyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(5-chloro-2-hydroxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(5-chloro-2-hydroxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(5-chloro-2-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(5-chloro-2-hydroxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C18H18ClN3O3S MolecularWeight: 391.87182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=C(C=CC(=C3)Cl)O)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=CC(=C3)Cl)O)C(=O)OCC(C)C

InChI

InChI=1S/C18H18ClN3O3S/c1-9(2)7-25-18(24)15-10(3)14-16(20-8-21-17(14)26-15)22-12-6-11(19)4-5-13(12)23/h4-6,8-9,23H,7H2,1-3H3,(H,20,21,22)