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

Systemtic Name: 2-azanyl-9-[[1-(4-methylphenoxy)-2-phenylmethoxy-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-benzyloxy-1-methyl-2-(4-methylphenoxy)ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[1-(4-methylphenoxy)-2-phenylmethoxypropan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[1-(4-methylphenoxy)-2-phenylmethoxypropan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-benzoxy-1-methyl-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(C)(OCC2=CC=CC=C2)OCN3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

CC1=CC=C(C=C1)OCC(C)(OCC2=CC=CC=C2)OCN3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C23H25N5O4/c1-16-8-10-18(11-9-16)30-13-23(2,31-12-17-6-4-3-5-7-17)32-15-28-14-25-19-20(28)26-22(24)27-21(19)29/h3-11,14H,12-13,15H2,1-2H3,(H3,24,26,27,29)