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

Systemtic Name: N-[6-azanyl-2-[(4-bromophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methoxy-benzamide Openeye Name: N-[6-amino-2-[(4-bromophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methoxy-benzamide CAS Name: N-[6-amino-2-[(4-bromophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide IUPAC Name: N-[6-amino-2-[(4-bromophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide Traditional Name: N-[6-amino-2-[(4-bromobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-methoxy-benzamide Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Br)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C19H17BrN4O3S/c1-27-14-8-4-12(5-9-14)17(25)22-15-16(21)23-19(24-18(15)26)28-10-11-2-6-13(20)7-3-11/h2-9H,10H2,1H3,(H,22,25)(H3,21,23,24,26)