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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-4-bromanyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-4-bromo-benzamide CAS Name: N-[6-amino-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-4-bromobenzamide Traditional Name: N-[6-amino-4-keto-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C19H17BrN4O2S MolecularWeight: 445.33288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Br

InChI

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