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

Systemtic Name: methyl 4-[(2-chloranyl-4-nitro-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-(2-chloro-4-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-chloro-4-nitroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-chloro-4-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-chloro-4-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C15H11ClN4O4S MolecularWeight: 378.79024

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN4O4S/c1-7-11-13(17-6-18-14(11)25-12(7)15(21)24-2)19-10-4-3-8(20(22)23)5-9(10)16/h3-6H,1-2H3,(H,17,18,19)