6-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-olate

Systemtic Name: 6-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-olate Openeye Name: 6-(7-ethyl-3-methyl-2,6-dioxo-purin-1-yl)hexan-2-olate CAS Name: 6-(7-ethyl-3-methyl-2,6-dioxo-1-purinyl)-2-hexanolate IUPAC Name: 6-(7-ethyl-3-methyl-2,6-dioxopurin-1-yl)hexan-2-olate Traditional Name: 6-(7-ethyl-2,6-diketo-3-methyl-purin-1-yl)hexan-2-olate Formula: C14H21N4O3- MolecularWeight: 293.34154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)[O-]

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)[O-]

InChI

InChI=1S/C14H21N4O3/c1-4-17-9-15-12-11(17)13(20)18(14(21)16(12)3)8-6-5-7-10(2)19/h9-10H,4-8H2,1-3H3/q-1