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

Systemtic Name: 2-azanyl-9-[(4-oxidanylidene-4-phenyl-butoxy)methyl]-7,8-dihydro-3H-purin-6-one Openeye Name: 2-amino-9-[(4-oxo-4-phenyl-butoxy)methyl]-7,8-dihydro-3H-purin-6-one CAS Name: 2-amino-9-[(4-oxo-4-phenylbutoxy)methyl]-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-amino-9-[(4-oxo-4-phenylbutoxy)methyl]-7,8-dihydro-3H-purin-6-one Traditional Name: 2-amino-9-[(4-keto-4-phenyl-butoxy)methyl]-7,8-dihydro-3H-purin-6-one Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1COCCCC(=O)C3=CC=CC=C3)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1COCCCC(=O)C3=CC=CC=C3)NC(=NC2=O)N

InChI

InChI=1S/C16H19N5O3/c17-16-19-14-13(15(23)20-16)18-9-21(14)10-24-8-4-7-12(22)11-5-2-1-3-6-11/h1-3,5-6,18H,4,7-10H2,(H3,17,19,20,23)