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

Systemtic Name: (4-methylcyclohexyl) 2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: (4-methylcyclohexyl) 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-bromophenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetic acid (4-methylcyclohexyl) ester Formula: C23H25BrN2O3S MolecularWeight: 489.4252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OC3CCC(CC3)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OC3CCC(CC3)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H25BrN2O3S/c1-3-18-20(15-6-8-16(24)9-7-15)21-22(30-18)25-13-26(23(21)28)12-19(27)29-17-10-4-14(2)5-11-17/h6-9,13-14,17H,3-5,10-12H2,1-2H3