14-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]tetradecan-2-olate

Systemtic Name: 14-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]tetradecan-2-olate Openeye Name: 14-(3,7-dimethyl-2,6-dioxo-purin-1-yl)tetradecan-2-olate CAS Name: 14-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-tetradecanolate IUPAC Name: 14-(3,7-dimethyl-2,6-dioxopurin-1-yl)tetradecan-2-olate Traditional Name: 14-(2,6-diketo-3,7-dimethyl-purin-1-yl)tetradecan-2-olate Formula: C21H35N4O3- MolecularWeight: 391.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

Isomeric SMILES

CC(CCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

InChI

InChI=1S/C21H35N4O3/c1-17(26)14-12-10-8-6-4-5-7-9-11-13-15-25-20(27)18-19(22-16-23(18)2)24(3)21(25)28/h16-17H,4-15H2,1-3H3/q-1