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

Systemtic Name: 2-methoxyethyl 4-[(3-butoxycarbonylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 4-(3-butoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[3-[butoxy(oxo)methyl]anilino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-(3-butoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-butoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-4-5-9-29-21(26)15-7-6-8-16(12-15)25-19-17-14(2)18(22(27)30-11-10-28-3)31-20(17)24-13-23-19/h6-8,12-13H,4-5,9-11H2,1-3H3,(H,23,24,25)