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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)butanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)butanamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)butanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)butanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(4-keto-3H-thieno[2,3-d]pyrimidin-2-yl)butyramide Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCCC2=NC3=C(C=CS3)C(=O)N2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCCC2=NC3=C(C=CS3)C(=O)N2)Br

InChI

InChI=1S/C17H16BrN3O2S/c1-10-9-11(5-6-13(10)18)19-15(22)4-2-3-14-20-16(23)12-7-8-24-17(12)21-14/h5-9H,2-4H2,1H3,(H,19,22)(H,20,21,23)