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

Systemtic Name: 3-butyl-6-oxidanylidene-7-(phenylmethyl)purin-2-olate Openeye Name: 7-benzyl-3-butyl-6-oxo-purin-2-olate CAS Name: 3-butyl-6-oxo-7-(phenylmethyl)-2-purinolate IUPAC Name: 7-benzyl-3-butyl-6-oxopurin-2-olate Traditional Name: 7-benzyl-3-butyl-6-keto-purin-2-olate Formula: C16H17N4O2- MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N=C1[O-])N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C(=O)N=C1[O-])N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2/c1-2-3-9-20-14-13(15(21)18-16(20)22)19(11-17-14)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,18,21,22)/p-1