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

Systemtic Name: ethyl 3-[4-(4-chloranylphenoxy)butyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CCCCOC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CCCCOC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H21ClN2O4S/c1-3-26-20(25)17-13(2)16-18(28-17)22-12-23(19(16)24)10-4-5-11-27-15-8-6-14(21)7-9-15/h6-9,12H,3-5,10-11H2,1-2H3