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

Systemtic Name: cyclohexyl 4-[(2-chloranyl-4-nitro-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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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)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)OC4CCCCC4

InChI

InChI=1S/C20H19ClN4O4S/c1-11-16-18(24-15-8-7-12(25(27)28)9-14(15)21)22-10-23-19(16)30-17(11)20(26)29-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,22,23,24)