N-[6-azanyl-2-[(4-bromophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Br)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Br)N

InChI

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