2-[(6-azanyl-4-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-5-phenyl-1H-pyrimidin-2-yl)thio]-N-(4-bromophenyl)acetamide Formula: C18H15BrN4O2S MolecularWeight: 431.3063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)Br)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C18H15BrN4O2S/c19-12-6-8-13(9-7-12)21-14(24)10-26-18-22-16(20)15(17(25)23-18)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,24)(H3,20,22,23,25)