3-[8-(6-chloranylpurin-9-yl)octoxy]benzamide

Systemtic Name: 3-[8-(6-chloranylpurin-9-yl)octoxy]benzamide Openeye Name: 3-[8-(6-chloropurin-9-yl)octoxy]benzamide CAS Name: 3-[8-(6-chloro-9-purinyl)octoxy]benzamide IUPAC Name: 3-[8-(6-chloropurin-9-yl)octoxy]benzamide Traditional Name: 3-[8-(6-chloropurin-9-yl)octoxy]benzamide Formula: C20H24ClN5O2 MolecularWeight: 401.88986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCCCCCN2C=NC3=C2N=CN=C3Cl)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)OCCCCCCCCN2C=NC3=C2N=CN=C3Cl)C(=O)N

InChI

InChI=1S/C20H24ClN5O2/c21-18-17-20(24-13-23-18)26(14-25-17)10-5-3-1-2-4-6-11-28-16-9-7-8-15(12-16)19(22)27/h7-9,12-14H,1-6,10-11H2,(H2,22,27)