2-[4-(methoxymethoxy)-3,5-dimethyl-phenyl]-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-[4-(methoxymethoxy)-3,5-dimethyl-phenyl]-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-[4-(methoxymethoxy)-3,5-dimethyl-phenyl]-3H-purin-6-one CAS Name: 2-[4-(methoxymethoxy)-3,5-dimethylphenyl]-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-[4-(methoxymethoxy)-3,5-dimethylphenyl]-3H-purin-6-one Traditional Name: 7-benzyl-2-[4-(methoxymethoxy)-3,5-dimethyl-phenyl]-3H-purin-6-one Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCOC)C)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1OCOC)C)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3/c1-14-9-17(10-15(2)19(14)29-13-28-3)20-24-21-18(22(27)25-20)26(12-23-21)11-16-7-5-4-6-8-16/h4-10,12H,11,13H2,1-3H3,(H,24,25,27)