2-azanyl-9-(2-oxidanylidene-4-phenylmethoxy-butyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(2-oxidanylidene-4-phenylmethoxy-butyl)-3H-purin-6-one Openeye Name: 2-amino-9-(4-benzyloxy-2-oxo-butyl)-3H-purin-6-one CAS Name: 2-amino-9-(2-oxo-4-phenylmethoxybutyl)-3H-purin-6-one IUPAC Name: 2-amino-9-(2-oxo-4-phenylmethoxybutyl)-3H-purin-6-one Traditional Name: 2-amino-9-(4-benzoxy-2-keto-butyl)-3H-purin-6-one Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCC(=O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)COCCC(=O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H17N5O3/c17-16-19-14-13(15(23)20-16)18-10-21(14)8-12(22)6-7-24-9-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H3,17,19,20,23)