phenethyl 3-[3-(4-chloranylphenoxy)propyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 3-[3-(4-chloranylphenoxy)propyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[3-(4-chlorophenoxy)propyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[3-(4-chlorophenoxy)propyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[3-(4-chlorophenoxy)propyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[3-(4-chlorophenoxy)propyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C25H23ClN2O4S MolecularWeight: 482.97912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCCOC3=CC=C(C=C3)Cl)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCCOC3=CC=C(C=C3)Cl)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H23ClN2O4S/c1-17-21-23(33-22(17)25(30)32-15-12-18-6-3-2-4-7-18)27-16-28(24(21)29)13-5-14-31-20-10-8-19(26)9-11-20/h2-4,6-11,16H,5,12-15H2,1H3