2-azanyl-9-[2-oxidanylidene-1-(4-oxidanylidene-4-phenyl-butoxy)-2-phenyl-ethyl]-7,8-dihydro-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2-oxidanylidene-1-(4-oxidanylidene-4-phenyl-butoxy)-2-phenyl-ethyl]-7,8-dihydro-3H-purin-6-one Openeye Name: 2-amino-9-[2-oxo-1-(4-oxo-4-phenyl-butoxy)-2-phenyl-ethyl]-7,8-dihydro-3H-purin-6-one CAS Name: 2-amino-9-[2-oxo-1-(4-oxo-4-phenylbutoxy)-2-phenylethyl]-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-amino-9-[2-oxo-1-(4-oxo-4-phenylbutoxy)-2-phenylethyl]-7,8-dihydro-3H-purin-6-one Traditional Name: 2-amino-9-[2-keto-1-(4-keto-4-phenyl-butoxy)-2-phenyl-ethyl]-7,8-dihydro-3H-purin-6-one Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1C(C(=O)C3=CC=CC=C3)OCCCC(=O)C4=CC=CC=C4)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1C(C(=O)C3=CC=CC=C3)OCCCC(=O)C4=CC=CC=C4)NC(=NC2=O)N

InChI

InChI=1S/C23H23N5O4/c24-23-26-20-18(21(31)27-23)25-14-28(20)22(19(30)16-10-5-2-6-11-16)32-13-7-12-17(29)15-8-3-1-4-9-15/h1-6,8-11,22,25H,7,12-14H2,(H3,24,26,27,31)