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

Systemtic Name: cyclohexyl 4-[(2-methoxycarbonylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(2-methoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-methoxycarbonylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(2-methoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-carbomethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC=C3C(=O)OC)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC=C3C(=O)OC)C(=O)OC4CCCCC4

InChI

InChI=1S/C22H23N3O4S/c1-13-17-19(25-16-11-7-6-10-15(16)21(26)28-2)23-12-24-20(17)30-18(13)22(27)29-14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,23,24,25)