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

Systemtic Name: 2-azanyl-9-[[1-(4-methylphenoxy)-3-phenylmethoxy-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(benzyloxymethyl)-2-(4-methylphenoxy)ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[1-(4-methylphenoxy)-3-phenylmethoxypropan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[1-(4-methylphenoxy)-3-phenylmethoxypropan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(benzoxymethyl)-2-(4-methylphenoxy)ethoxy]methyl]-3H-purin-6-one Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(COCC2=CC=CC=C2)OCN3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

CC1=CC=C(C=C1)OCC(COCC2=CC=CC=C2)OCN3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C23H25N5O4/c1-16-7-9-18(10-8-16)31-13-19(12-30-11-17-5-3-2-4-6-17)32-15-28-14-25-20-21(28)26-23(24)27-22(20)29/h2-10,14,19H,11-13,15H2,1H3,(H3,24,26,27,29)