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

Systemtic Name: (2R)-2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: (2R)-2-[5-(4-bromophenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: (2R)-2-[5-(4-bromophenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoate IUPAC Name: (2R)-2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: (2R)-2-[5-(4-bromophenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]butyrate Formula: C18H16BrN2O3S- MolecularWeight: 420.30024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)C(CC)C(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)[C@H](CC)C(=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN2O3S/c1-3-12(18(23)24)21-9-20-16-15(17(21)22)14(13(4-2)25-16)10-5-7-11(19)8-6-10/h5-9,12H,3-4H2,1-2H3,(H,23,24)/p-1/t12-/m1/s1