methyl 4-[(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate hydrobromide

Systemtic Name: methyl 4-[(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate hydrobromide Openeye Name: methyl 4-[(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate hydrobromide CAS Name: 4-[[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid methyl ester hydrobromide IUPAC Name: methyl 4-[(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate hydrobromide Traditional Name: 4-[[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester hydrobromide Formula: C24H21BrN2O3S2 MolecularWeight: 529.46914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C.Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C.Br

InChI

InChI=1S/C24H20N2O3S2.BrH/c1-3-13-26-22(27)20-19(17-7-5-4-6-8-17)15-30-21(20)25-24(26)31-14-16-9-11-18(12-10-16)23(28)29-2;/h3-12,15H,1,13-14H2,2H3;1H