N-[9-(2-methyl-5-oxidanyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)purin-6-yl]benzamide

Systemtic Name: N-[9-(2-methyl-5-oxidanyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)purin-6-yl]benzamide Openeye Name: N-[9-(5-hydroxy-2-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)purin-6-yl]benzamide CAS Name: N-[9-(5-hydroxy-2-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)-6-purinyl]benzamide IUPAC Name: N-[9-(5-hydroxy-2-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)purin-6-yl]benzamide Traditional Name: N-[9-(5-hydroxy-2-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)purin-6-yl]benzamide Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(O2)C(C(O1)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O

Isomeric SMILES

CC1C2C(O2)C(C(O1)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C18H17N5O4/c1-9-13-14(27-13)12(24)18(26-9)23-8-21-11-15(19-7-20-16(11)23)22-17(25)10-5-3-2-4-6-10/h2-9,12-14,18,24H,1H3,(H,19,20,22,25)