N-[9-[1-(2-methylpropoxy)ethyl]purin-6-yl]benzamide

Systemtic Name: N-[9-[1-(2-methylpropoxy)ethyl]purin-6-yl]benzamide Openeye Name: N-[9-(1-isobutoxyethyl)purin-6-yl]benzamide CAS Name: N-[9-[1-(2-methylpropoxy)ethyl]-6-purinyl]benzamide IUPAC Name: N-[9-[1-(2-methylpropoxy)ethyl]purin-6-yl]benzamide Traditional Name: N-[9-(1-isobutoxyethyl)purin-6-yl]benzamide Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(C)N1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC(C)N1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5O2/c1-12(2)9-25-13(3)23-11-21-15-16(19-10-20-17(15)23)22-18(24)14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3,(H,19,20,22,24)