2-azanyl-9-[4-(3-phenylpropoxy)phenyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[4-(3-phenylpropoxy)phenyl]-3H-purin-6-one Openeye Name: 2-amino-9-[4-(3-phenylpropoxy)phenyl]-3H-purin-6-one CAS Name: 2-amino-9-[4-(3-phenylpropoxy)phenyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-(3-phenylpropoxy)phenyl]-3H-purin-6-one Traditional Name: 2-amino-9-[4-(3-phenylpropoxy)phenyl]-3H-purin-6-one Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C20H19N5O2/c21-20-23-18-17(19(26)24-20)22-13-25(18)15-8-10-16(11-9-15)27-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H3,21,23,24,26)