6-[6-azanyl-2-(phenylmethyl)purin-3-yl]-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanamide

Systemtic Name: 6-[6-azanyl-2-(phenylmethyl)purin-3-yl]-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanamide Openeye Name: 6-(6-amino-2-benzyl-purin-3-yl)-2,3,4,5-tetrahydroxy-6-oxo-hexanamide CAS Name: 6-[6-amino-2-(phenylmethyl)-3-purinyl]-2,3,4,5-tetrahydroxy-6-oxohexanamide IUPAC Name: 6-(6-amino-2-benzylpurin-3-yl)-2,3,4,5-tetrahydroxy-6-oxohexanamide Traditional Name: 6-(6-amino-2-benzyl-purin-3-yl)-2,3,4,5-tetrahydroxy-6-keto-hexanamide Formula: C18H20N6O6 MolecularWeight: 416.388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=C3C(=NC=N3)N2C(=O)C(C(C(C(C(=O)N)O)O)O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=C3C(=NC=N3)N2C(=O)C(C(C(C(C(=O)N)O)O)O)O)N

InChI

InChI=1S/C18H20N6O6/c19-15-10-17(22-7-21-10)24(9(23-15)6-8-4-2-1-3-5-8)18(30)14(28)12(26)11(25)13(27)16(20)29/h1-5,7,11-14,25-28H,6,19H2,(H2,20,29)