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

Systemtic Name: methyl 4-[(4-hexoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-(4-hexoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-hexoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-hexoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-hexoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OC)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OC)C

InChI

InChI=1S/C21H25N3O3S/c1-4-5-6-7-12-27-16-10-8-15(9-11-16)24-19-17-14(2)18(21(25)26-3)28-20(17)23-13-22-19/h8-11,13H,4-7,12H2,1-3H3,(H,22,23,24)