3-[5-(6-aminopurin-9-yl)pentoxy]benzamide

Systemtic Name: 3-[5-(6-aminopurin-9-yl)pentoxy]benzamide Openeye Name: 3-[5-(6-aminopurin-9-yl)pentoxy]benzamide CAS Name: 3-[5-(6-aminopurin-9-yl)pentoxy]benzamide IUPAC Name: 3-[5-(6-aminopurin-9-yl)pentoxy]benzamide Traditional Name: 3-(5-adenin-9-ylpentoxy)benzamide Formula: C17H20N6O2 MolecularWeight: 340.3797

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCCN2C=NC3=C2N=CN=C3N)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)OCCCCCN2C=NC3=C2N=CN=C3N)C(=O)N

InChI

InChI=1S/C17H20N6O2/c18-15-14-17(21-10-20-15)23(11-22-14)7-2-1-3-8-25-13-6-4-5-12(9-13)16(19)24/h4-6,9-11H,1-3,7-8H2,(H2,19,24)(H2,18,20,21)