(3-methylcyclohexyl) 2-[5-(4-bromophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: (3-methylcyclohexyl) 2-[5-(4-bromophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: (3-methylcyclohexyl) 2-[5-(4-bromophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-bromophenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (3-methylcyclohexyl) ester IUPAC Name: (3-methylcyclohexyl) 2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-bromophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]acetic acid (3-methylcyclohexyl) ester Formula: C22H23BrN2O3S MolecularWeight: 475.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1CCCC(C1)OC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN2O3S/c1-13-4-3-5-17(10-13)28-18(26)11-25-12-24-21-20(22(25)27)19(14(2)29-21)15-6-8-16(23)9-7-15/h6-9,12-13,17H,3-5,10-11H2,1-2H3