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

Systemtic Name: cyclohexyl 4-[(4-iodanyl-2-methyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(4-iodo-2-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-iodo-2-methylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(4-iodo-2-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-iodo-2-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C21H22IN3O2S MolecularWeight: 507.38775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C

InChI

InChI=1S/C21H22IN3O2S/c1-12-10-14(22)8-9-16(12)25-19-17-13(2)18(28-20(17)24-11-23-19)21(26)27-15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,23,24,25)