N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]-2-[(8-bromanyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]-2-[(8-bromanyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2,6-dioxo-3-phenethyl-pyrimidin-4-yl)acetamide CAS Name: 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-(2,6-dioxo-3-phenethyl-4-pyrimidinyl)acetamide IUPAC Name: 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2,6-dioxo-3-phenethylpyrimidin-4-yl)acetamide Traditional Name: 2-[(8-bromo-5H-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-(2,6-diketo-3-phenethyl-pyrimidin-4-yl)acetamide Formula: C23H18BrN7O3S MolecularWeight: 552.40312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=C(C5=C(N4)C=CC(=C5)Br)N=N3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=C(C5=C(N4)C=CC(=C5)Br)N=N3

InChI

InChI=1S/C23H18BrN7O3S/c24-14-6-7-16-15(10-14)20-21(25-16)28-22(30-29-20)35-12-19(33)26-17-11-18(32)27-23(34)31(17)9-8-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,26,33)(H,25,28,30)(H,27,32,34)