7-ethyl-6-oxidanylidene-3-(phenylmethyl)purin-2-olate

Systemtic Name: 7-ethyl-6-oxidanylidene-3-(phenylmethyl)purin-2-olate Openeye Name: 3-benzyl-7-ethyl-6-oxo-purin-2-olate CAS Name: 7-ethyl-6-oxo-3-(phenylmethyl)-2-purinolate IUPAC Name: 3-benzyl-7-ethyl-6-oxopurin-2-olate Traditional Name: 3-benzyl-7-ethyl-6-keto-purin-2-olate Formula: C14H13N4O2- MolecularWeight: 269.27862

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N=C(N2CC3=CC=CC=C3)[O-]

Isomeric SMILES

CCN1C=NC2=C1C(=O)N=C(N2CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C14H14N4O2/c1-2-17-9-15-12-11(17)13(19)16-14(20)18(12)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,19,20)/p-1