N-[6-azanyl-2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide

Systemtic Name: N-[6-azanyl-2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide Openeye Name: N-[6-amino-2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide CAS Name: N-[6-amino-2-[(3,4-dichlorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-[6-amino-2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide Traditional Name: N-[6-amino-2-[(3,4-dichlorobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C18H13BrCl2N4O2S MolecularWeight: 500.19642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=C(C=C3)Cl)Cl)N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=C(C=C3)Cl)Cl)N)Br

InChI

InChI=1S/C18H13BrCl2N4O2S/c19-11-4-2-10(3-5-11)16(26)23-14-15(22)24-18(25-17(14)27)28-8-9-1-6-12(20)13(21)7-9/h1-7H,8H2,(H,23,26)(H3,22,24,25,27)