5-bromanyl-N-[(E)-2-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethylideneamino]-2-oxidanyl-benzamide

Systemtic Name: 5-bromanyl-N-[(E)-2-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethylideneamino]-2-oxidanyl-benzamide Openeye Name: 5-bromo-2-hydroxy-N-[(E)-2-[3-methyl-2,6-dioxo-8-(1-piperidyl)purin-7-yl]ethylideneamino]benzamide CAS Name: 5-bromo-2-hydroxy-N-[(E)-2-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-7-purinyl]ethylideneamino]benzamide IUPAC Name: 5-bromo-2-hydroxy-N-[(E)-2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)ethylideneamino]benzamide Traditional Name: 5-bromo-N-[(E)-2-(2,6-diketo-3-methyl-8-piperidino-purin-7-yl)ethylideneamino]-2-hydroxy-benzamide Formula: C20H22BrN7O4 MolecularWeight: 504.33718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC=NNC(=O)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)C/C=N/NC(=O)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C20H22BrN7O4/c1-26-16-15(18(31)24-20(26)32)28(19(23-16)27-8-3-2-4-9-27)10-7-22-25-17(30)13-11-12(21)5-6-14(13)29/h5-7,11,29H,2-4,8-10H2,1H3,(H,25,30)(H,24,31,32)/b22-7+