N-[2-(6-azanyl-8-bromanyl-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]benzamide

Systemtic Name: N-[2-(6-azanyl-8-bromanyl-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]benzamide Openeye Name: N-[2-(6-amino-8-bromo-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]benzamide CAS Name: N-[2-(6-amino-8-bromo-9-purinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]benzamide IUPAC Name: N-[2-(6-amino-8-bromopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzamide Traditional Name: N-[2-(6-amino-8-bromo-purin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl]benzamide Formula: C17H17BrN6O4 MolecularWeight: 449.25868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2C(C(OC2N3C4=C(C(=NC=N4)N)N=C3Br)CO)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2C(C(OC2N3C4=C(C(=NC=N4)N)N=C3Br)CO)O

InChI

InChI=1S/C17H17BrN6O4/c18-17-23-11-13(19)20-7-21-14(11)24(17)16-10(12(26)9(6-25)28-16)22-15(27)8-4-2-1-3-5-8/h1-5,7,9-10,12,16,25-26H,6H2,(H,22,27)(H2,19,20,21)