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

Systemtic Name: 2-methoxyethyl 4-[(4-hexoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-4-5-6-7-12-29-18-10-8-17(9-11-18)26-21-19-16(2)20(23(27)30-14-13-28-3)31-22(19)25-15-24-21/h8-11,15H,4-7,12-14H2,1-3H3,(H,24,25,26)