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

Systemtic Name: N-[6-azanyl-2-[(4-bromophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-2-[(4-bromophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-2-[(4-bromophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-[(4-bromophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-2-[(4-bromobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C19H17BrN4O2S MolecularWeight: 445.33288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Br)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C19H17BrN4O2S/c1-11-2-6-13(7-3-11)17(25)22-15-16(21)23-19(24-18(15)26)27-10-12-4-8-14(20)9-5-12/h2-9H,10H2,1H3,(H,22,25)(H3,21,23,24,26)