N-[8-bromanyl-9-[5-(hydroxymethyl)-5-methyl-4-oxidanyl-oxolan-2-yl]purin-6-yl]benzamide

Systemtic Name: N-[8-bromanyl-9-[5-(hydroxymethyl)-5-methyl-4-oxidanyl-oxolan-2-yl]purin-6-yl]benzamide Openeye Name: N-[8-bromo-9-[4-hydroxy-5-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]purin-6-yl]benzamide CAS Name: N-[8-bromo-9-[4-hydroxy-5-(hydroxymethyl)-5-methyl-2-oxolanyl]-6-purinyl]benzamide IUPAC Name: N-[8-bromo-9-[4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]purin-6-yl]benzamide Traditional Name: N-[8-bromo-9-(4-hydroxy-5-methyl-5-methylol-tetrahydrofuran-2-yl)purin-6-yl]benzamide Formula: C18H18BrN5O4 MolecularWeight: 448.27062

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(O1)N2C3=C(C(=NC=N3)NC(=O)C4=CC=CC=C4)N=C2Br)O)CO

Isomeric SMILES

CC1(C(CC(O1)N2C3=C(C(=NC=N3)NC(=O)C4=CC=CC=C4)N=C2Br)O)CO

InChI

InChI=1S/C18H18BrN5O4/c1-18(8-25)11(26)7-12(28-18)24-15-13(22-17(24)19)14(20-9-21-15)23-16(27)10-5-3-2-4-6-10/h2-6,9,11-12,25-26H,7-8H2,1H3,(H,20,21,23,27)