5-bromanyl-N-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methylideneamino]-2-oxidanyl-benzamide

Systemtic Name: 5-bromanyl-N-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methylideneamino]-2-oxidanyl-benzamide Openeye Name: N-[(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)methyleneamino]-5-bromo-2-hydroxy-benzamide CAS Name: 5-bromo-2-hydroxy-N-[[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]methylideneamino]benzamide IUPAC Name: N-[(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)methylideneamino]-5-bromo-2-hydroxybenzamide Traditional Name: N-[(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)methyleneamino]-5-bromo-2-hydroxy-benzamide Formula: C21H17BrN6O4 MolecularWeight: 497.30148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)C=NNC(=O)C3=C(C=CC(=C3)Br)O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)C=NNC(=O)C3=C(C=CC(=C3)Br)O)CC4=CC=CC=C4

InChI

InChI=1S/C21H17BrN6O4/c1-27-18-17(20(31)25-21(27)32)28(11-12-5-3-2-4-6-12)16(24-18)10-23-26-19(30)14-9-13(22)7-8-15(14)29/h2-10,29H,11H2,1H3,(H,26,30)(H,25,31,32)