cyclohexyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCC3=NC4=CC=CC=C4N3)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCC3=NC4=CC=CC=C4N3)C(=O)OC5CCCCC5

InChI

InChI=1S/C23H25N5O2S/c1-14-19-21(24-12-11-18-27-16-9-5-6-10-17(16)28-18)25-13-26-22(19)31-20(14)23(29)30-15-7-3-2-4-8-15/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,27,28)(H,24,25,26)