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

Systemtic Name: cyclohexyl 5-methyl-3-[4-(2-methylphenoxy)butyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-3-[4-(2-methylphenoxy)butyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[4-(2-methylphenoxy)butyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-3-[4-(2-methylphenoxy)butyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-[4-(2-methylphenoxy)butyl]thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC4CCCCC4)C

Isomeric SMILES

CC1=CC=CC=C1OCCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC4CCCCC4)C

InChI

InChI=1S/C25H30N2O4S/c1-17-10-6-7-13-20(17)30-15-9-8-14-27-16-26-23-21(24(27)28)18(2)22(32-23)25(29)31-19-11-4-3-5-12-19/h6-7,10,13,16,19H,3-5,8-9,11-12,14-15H2,1-2H3