17-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]heptadecan-2-olate

Systemtic Name: 17-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]heptadecan-2-olate Openeye Name: 17-(3,7-dimethyl-2,6-dioxo-purin-1-yl)heptadecan-2-olate CAS Name: 17-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-heptadecanolate IUPAC Name: 17-(3,7-dimethyl-2,6-dioxopurin-1-yl)heptadecan-2-olate Traditional Name: 17-(2,6-diketo-3,7-dimethyl-purin-1-yl)heptadecan-2-olate Formula: C24H41N4O3- MolecularWeight: 433.60734

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

Isomeric SMILES

CC(CCCCCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

InChI

InChI=1S/C24H41N4O3/c1-20(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-28-23(30)21-22(25-19-26(21)2)27(3)24(28)31/h19-20H,4-18H2,1-3H3/q-1