N-[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]-4-phenyldiazenyl-benzamide

Systemtic Name: N-[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]-4-phenyldiazenyl-benzamide Openeye Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]-4-phenylazo-benzamide CAS Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]-4-phenyldiazenylbenzamide IUPAC Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-4-phenyldiazenylbenzamide Traditional Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]-4-phenylazo-benzamide Formula: C23H21N7O4 MolecularWeight: 459.45734

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=C(C=C4)N=NC5=CC=CC=C5)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=C(C=C4)N=NC5=CC=CC=C5)CO)O

InChI

InChI=1S/C23H21N7O4/c31-11-18-17(32)10-19(34-18)30-13-26-20-21(24-12-25-22(20)30)27-23(33)14-6-8-16(9-7-14)29-28-15-4-2-1-3-5-15/h1-9,12-13,17-19,31-32H,10-11H2,(H,24,25,27,33)/t17-,18+,19+/m0/s1