N-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]-4-phenyldiazenyl-benzamide

Systemtic Name: N-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]-4-phenyldiazenyl-benzamide Openeye Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]-4-phenylazo-benzamide CAS Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]-4-phenyldiazenylbenzamide IUPAC Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-4-phenyldiazenylbenzamide Traditional Name: N-[9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-yl]-4-phenylazo-benzamide Formula: C23H21N7O5 MolecularWeight: 475.45674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)NC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)NC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C23H21N7O5/c31-10-16-18(32)19(33)23(35-16)30-12-26-17-20(24-11-25-21(17)30)27-22(34)13-6-8-15(9-7-13)29-28-14-4-2-1-3-5-14/h1-9,11-12,16,18-19,23,31-33H,10H2,(H,24,25,27,34)