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

Systemtic Name: 4-[(5-chloranyl-2-oxidanyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 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]pyrimidinecarboxylate IUPAC Name: 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-carboxylate Formula: C14H9ClN3O3S- MolecularWeight: 334.75756

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)[O-]

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=CC(=C3)Cl)O)C(=O)[O-]

InChI

InChI=1S/C14H10ClN3O3S/c1-6-10-12(18-8-4-7(15)2-3-9(8)19)16-5-17-13(10)22-11(6)14(20)21/h2-5,19H,1H3,(H,20,21)(H,16,17,18)/p-1