2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(5-bromanylpyrimidin-2-yl)ethanamide

Systemtic Name: 2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(5-bromanylpyrimidin-2-yl)ethanamide Openeye Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(5-bromopyrimidin-2-yl)acetamide CAS Name: 2-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]-N-(5-bromo-2-pyrimidinyl)acetamide IUPAC Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-bromopyrimidin-2-yl)acetamide Traditional Name: 2-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]-N-(5-bromopyrimidin-2-yl)acetamide Formula: C16H12BrClN6O2S MolecularWeight: 467.72748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=NC=C(C=N3)Br)N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=NC=C(C=N3)Br)N)Cl

InChI

InChI=1S/C16H12BrClN6O2S/c17-9-6-20-15(21-7-9)22-14(26)8-27-16-23-13(25)5-12(19)24(16)11-3-1-10(18)2-4-11/h1-7H,8,19H2,(H,20,21,22,26)