3-bromanyl-N-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]benzamide Openeye Name: 3-bromo-N-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]benzamide CAS Name: 3-bromo-N-[2-[(2,5-dimethylphenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]benzamide IUPAC Name: 3-bromo-N-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide Traditional Name: 3-bromo-N-[2-[(2,5-dimethylbenzyl)thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]benzamide Formula: C22H18BrN3O2S2 MolecularWeight: 500.43122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2NC(=O)C4=CC(=CC=C4)Br)SC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2NC(=O)C4=CC(=CC=C4)Br)SC=C3

InChI

InChI=1S/C22H18BrN3O2S2/c1-13-6-7-14(2)16(10-13)12-30-22-24-18-8-9-29-19(18)21(28)26(22)25-20(27)15-4-3-5-17(23)11-15/h3-11H,12H2,1-2H3,(H,25,27)