cyclohexyl 5-methyl-4-[2-(naphthalen-1-ylamino)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 5-methyl-4-[2-(naphthalen-1-ylamino)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-[2-(1-naphthylamino)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[2-(1-naphthalenylamino)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-[2-(naphthalen-1-ylamino)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[2-(1-naphthylamino)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCNC3=CC=CC4=CC=CC=C43)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCNC3=CC=CC4=CC=CC=C43)C(=O)OC5CCCCC5

InChI

InChI=1S/C26H28N4O2S/c1-17-22-24(28-15-14-27-21-13-7-9-18-8-5-6-12-20(18)21)29-16-30-25(22)33-23(17)26(31)32-19-10-3-2-4-11-19/h5-9,12-13,16,19,27H,2-4,10-11,14-15H2,1H3,(H,28,29,30)