2-azanyl-9-[[1-(4-chloranylphenoxy)-3-phenylmethoxy-propan-2-yl]oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[1-(4-chloranylphenoxy)-3-phenylmethoxy-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(benzyloxymethyl)-2-(4-chlorophenoxy)ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[1-(4-chlorophenoxy)-3-phenylmethoxypropan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[1-(4-chlorophenoxy)-3-phenylmethoxypropan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(benzoxymethyl)-2-(4-chlorophenoxy)ethoxy]methyl]-3H-purin-6-one Formula: C22H22ClN5O4 MolecularWeight: 455.89418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(COC2=CC=C(C=C2)Cl)OCN3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC=C(C=C1)COCC(COC2=CC=C(C=C2)Cl)OCN3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C22H22ClN5O4/c23-16-6-8-17(9-7-16)31-12-18(11-30-10-15-4-2-1-3-5-15)32-14-28-13-25-19-20(28)26-22(24)27-21(19)29/h1-9,13,18H,10-12,14H2,(H3,24,26,27,29)