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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N=C(N2CC3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N=C(N2CC3=CC=CC=C3)[O-]

InChI

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