N-(2-bromanyl-4-methyl-phenyl)-2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionamide Formula: C17H16BrN3O2S2 MolecularWeight: 438.36184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2C)Br

InChI

InChI=1S/C17H16BrN3O2S2/c1-9-4-5-13(12(18)8-9)19-14(22)10(2)25-17-20-15-11(6-7-24-15)16(23)21(17)3/h4-8,10H,1-3H3,(H,19,22)