12-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]dodecan-2-olate

Systemtic Name: 12-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]dodecan-2-olate Openeye Name: 12-(3,7-dimethyl-2,6-dioxo-purin-1-yl)dodecan-2-olate CAS Name: 12-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-dodecanolate IUPAC Name: 12-(3,7-dimethyl-2,6-dioxopurin-1-yl)dodecan-2-olate Traditional Name: 12-(2,6-diketo-3,7-dimethyl-purin-1-yl)dodecan-2-olate Formula: C19H31N4O3- MolecularWeight: 363.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

Isomeric SMILES

CC(CCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

InChI

InChI=1S/C19H31N4O3/c1-15(24)12-10-8-6-4-5-7-9-11-13-23-18(25)16-17(20-14-21(16)2)22(3)19(23)26/h14-15H,4-13H2,1-3H3/q-1