2-(hexoxymethyl)-1-(2-phenylmethoxyethoxymethyl)-7H-purin-6-one

Systemtic Name: 2-(hexoxymethyl)-1-(2-phenylmethoxyethoxymethyl)-7H-purin-6-one Openeye Name: 1-(2-benzyloxyethoxymethyl)-2-(hexoxymethyl)-7H-purin-6-one CAS Name: 2-(hexoxymethyl)-1-(2-phenylmethoxyethoxymethyl)-7H-purin-6-one IUPAC Name: 2-(hexoxymethyl)-1-(2-phenylmethoxyethoxymethyl)-7H-purin-6-one Traditional Name: 1-(2-benzoxyethoxymethyl)-2-(hexoxymethyl)-7H-purin-6-one Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1=NC2=C(C(=O)N1COCCOCC3=CC=CC=C3)NC=N2

Isomeric SMILES

CCCCCCOCC1=NC2=C(C(=O)N1COCCOCC3=CC=CC=C3)NC=N2

InChI

InChI=1S/C22H30N4O4/c1-2-3-4-8-11-28-15-19-25-21-20(23-16-24-21)22(27)26(19)17-30-13-12-29-14-18-9-6-5-7-10-18/h5-7,9-10,16H,2-4,8,11-15,17H2,1H3,(H,23,24)