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

Systemtic Name: (3-methylcyclohexyl) 2-[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: (3-methylcyclohexyl) 2-[5-(4-bromophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-bromophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (3-methylcyclohexyl) ester IUPAC Name: (3-methylcyclohexyl) 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-bromophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetic acid (3-methylcyclohexyl) ester Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1CCCC(C1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN2O3S/c1-13-3-2-4-16(9-13)27-18(25)10-24-12-23-20-19(21(24)26)17(11-28-20)14-5-7-15(22)8-6-14/h5-8,11-13,16H,2-4,9-10H2,1H3