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

Systemtic Name: methyl 2-[5-(4-bromophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: methyl 2-[5-(4-bromophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[5-(4-bromophenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid methyl ester IUPAC Name: methyl 2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[5-(4-bromophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]butyric acid methyl ester Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)N1C=NC2=C(C1=O)C(=C(S2)C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC(C(=O)OC)N1C=NC2=C(C1=O)C(=C(S2)C)C3=CC=C(C=C3)Br

InChI

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