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

Systemtic Name: cyclohexyl 5-methyl-4-[[4-(pyridin-4-ylmethyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-[4-(4-pyridylmethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(pyridin-4-ylmethyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-[4-(pyridin-4-ylmethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(4-pyridylmethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC4=CC=NC=C4)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC4=CC=NC=C4)C(=O)OC5CCCCC5

InChI

InChI=1S/C26H26N4O2S/c1-17-22-24(30-20-9-7-18(8-10-20)15-19-11-13-27-14-12-19)28-16-29-25(22)33-23(17)26(31)32-21-5-3-2-4-6-21/h7-14,16,21H,2-6,15H2,1H3,(H,28,29,30)