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

Systemtic Name: cyclohexyl 4-[(3-chloranyl-2-methyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(3-chloro-2-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-chloro-2-methylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(3-chloro-2-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-chloro-2-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C

InChI

InChI=1S/C21H22ClN3O2S/c1-12-15(22)9-6-10-16(12)25-19-17-13(2)18(28-20(17)24-11-23-19)21(26)27-14-7-4-3-5-8-14/h6,9-11,14H,3-5,7-8H2,1-2H3,(H,23,24,25)