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

Systemtic Name: cyclohexyl 4-[(3-cyanophenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(3-cyanoanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-cyanoanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(3-cyanoanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-cyanoanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC(=C3)C#N)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC(=C3)C#N)C(=O)OC4CCCCC4

InChI

InChI=1S/C21H20N4O2S/c1-13-17-19(25-15-7-5-6-14(10-15)11-22)23-12-24-20(17)28-18(13)21(26)27-16-8-3-2-4-9-16/h5-7,10,12,16H,2-4,8-9H2,1H3,(H,23,24,25)