4-[(2-chloranyl-4-nitro-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[(2-chloranyl-4-nitro-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(2-chloro-4-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(2-chloro-4-nitroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(2-chloro-4-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(2-chloro-4-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C14H9ClN4O4S MolecularWeight: 364.76366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClN4O4S/c1-6-10-12(16-5-17-13(10)24-11(6)14(20)21)18-9-3-2-7(19(22)23)4-8(9)15/h2-5H,1H3,(H,20,21)(H,16,17,18)