N-(3-methoxypropyl)-2-[6-[(phenylmethyl)amino]purin-9-yl]ethanamide

Systemtic Name: N-(3-methoxypropyl)-2-[6-[(phenylmethyl)amino]purin-9-yl]ethanamide Openeye Name: 2-[6-(benzylamino)purin-9-yl]-N-(3-methoxypropyl)acetamide CAS Name: N-(3-methoxypropyl)-2-[6-[(phenylmethyl)amino]-9-purinyl]acetamide IUPAC Name: 2-[6-(benzylamino)purin-9-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[6-(benzylamino)purin-9-yl]-N-(3-methoxypropyl)acetamide Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CN1C=NC2=C1N=CN=C2NCC3=CC=CC=C3

Isomeric SMILES

COCCCNC(=O)CN1C=NC2=C1N=CN=C2NCC3=CC=CC=C3

InChI

InChI=1S/C18H22N6O2/c1-26-9-5-8-19-15(25)11-24-13-23-16-17(21-12-22-18(16)24)20-10-14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,19,25)(H,20,21,22)