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

Systemtic Name: cyclohexyl 5-methyl-4-[(4-phenylazanylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(4-anilinoanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-anilinoanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(4-anilinoanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-anilinoanilino)-5-methyl-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)NC4=CC=CC=C4)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)NC4=CC=CC=C4)C(=O)OC5CCCCC5

InChI

InChI=1S/C26H26N4O2S/c1-17-22-24(30-20-14-12-19(13-15-20)29-18-8-4-2-5-9-18)27-16-28-25(22)33-23(17)26(31)32-21-10-6-3-7-11-21/h2,4-5,8-9,12-16,21,29H,3,6-7,10-11H2,1H3,(H,27,28,30)