[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methyl] benzoate

Systemtic Name: [(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methyl] benzoate Openeye Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] benzoate CAS Name: benzoic acid [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] ester IUPAC Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] benzoate Traditional Name: benzoic acid [(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] ester Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1C(OCCCO)OC(=O)C3=CC=CC=C3)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1C(OCCCO)OC(=O)C3=CC=CC=C3)NC(=NC2=O)N

InChI

InChI=1S/C16H19N5O5/c17-15-19-12-11(13(23)20-15)18-9-21(12)16(25-8-4-7-22)26-14(24)10-5-2-1-3-6-10/h1-3,5-6,16,18,22H,4,7-9H2,(H3,17,19,20,23)