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

Systemtic Name: propan-2-yl 4-[(4-hexoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-5-6-7-8-13-28-18-11-9-17(10-12-18)26-21-19-16(4)20(23(27)29-15(2)3)30-22(19)25-14-24-21/h9-12,14-15H,5-8,13H2,1-4H3,(H,24,25,26)