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

Systemtic Name: phenethyl 3-[4-(4-chloranylphenoxy)butyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[4-(4-chlorophenoxy)butyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[4-(4-chlorophenoxy)butyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[4-(4-chlorophenoxy)butyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[4-(4-chlorophenoxy)butyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H25ClN2O4S MolecularWeight: 497.0057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCCCOC3=CC=C(C=C3)Cl)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCCCOC3=CC=C(C=C3)Cl)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C26H25ClN2O4S/c1-18-22-24(34-23(18)26(31)33-16-13-19-7-3-2-4-8-19)28-17-29(25(22)30)14-5-6-15-32-21-11-9-20(27)10-12-21/h2-4,7-12,17H,5-6,13-16H2,1H3