2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-bromanyl-3-methyl-phenyl)ethanamide

Systemtic Name: 2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-bromanyl-3-methyl-phenyl)ethanamide Openeye Name: 2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-bromo-3-methyl-phenyl)acetamide CAS Name: 2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-bromo-3-methylphenyl)acetamide IUPAC Name: 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide Traditional Name: 2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C21H17BrN4O2S2 MolecularWeight: 501.41928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N)Br

InChI

InChI=1S/C21H17BrN4O2S2/c1-12-9-14(7-8-16(12)22)24-17(27)11-30-21-25-19-18(20(28)26(21)23)15(10-29-19)13-5-3-2-4-6-13/h2-10H,11,23H2,1H3,(H,24,27)