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

Systemtic Name: cyclohexyl 5-methyl-3-[4-(3-methylphenoxy)butyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-3-[4-(3-methylphenoxy)butyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[4-(3-methylphenoxy)butyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-3-[4-(3-methylphenoxy)butyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-[4-(3-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=C1)OCCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC4CCCCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC4CCCCC4)C

InChI

InChI=1S/C25H30N2O4S/c1-17-9-8-12-20(15-17)30-14-7-6-13-27-16-26-23-21(24(27)28)18(2)22(32-23)25(29)31-19-10-4-3-5-11-19/h8-9,12,15-16,19H,3-7,10-11,13-14H2,1-2H3