2-azanyl-9-[2-(4-methylphenoxy)-1-(1-phenylmethoxyethoxy)ethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2-(4-methylphenoxy)-1-(1-phenylmethoxyethoxy)ethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[1-(1-benzyloxyethoxy)-2-(4-methylphenoxy)ethyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-(4-methylphenoxy)-1-(1-phenylmethoxyethoxy)ethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2-(4-methylphenoxy)-1-(1-phenylmethoxyethoxy)ethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[1-(1-benzoxyethoxy)-2-(4-methylphenoxy)ethyl]-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(N2C=NC3=C2NC(=NC3=O)N)OC(C)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OCC(N2C=NC3=C2NC(=NC3=O)N)OC(C)OCC4=CC=CC=C4

InChI

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