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

Systemtic Name: ethyl 5-methyl-3-[3-(4-methylphenoxy)propyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-3-[3-(4-methylphenoxy)propyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[3-(4-methylphenoxy)propyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-[3-(4-methylphenoxy)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-[3-(4-methylphenoxy)propyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CCCOC3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CCCOC3=CC=C(C=C3)C)C

InChI

InChI=1S/C20H22N2O4S/c1-4-25-20(24)17-14(3)16-18(27-17)21-12-22(19(16)23)10-5-11-26-15-8-6-13(2)7-9-15/h6-9,12H,4-5,10-11H2,1-3H3