18-[3-(2-bromoethyl)-2,6-bis(oxidanylidene)-1-(3-oxidanylpentyl)purin-7-yl]octadecan-2-olate

Systemtic Name: 18-[3-(2-bromoethyl)-2,6-bis(oxidanylidene)-1-(3-oxidanylpentyl)purin-7-yl]octadecan-2-olate Openeye Name: 18-[3-(2-bromoethyl)-1-(3-hydroxypentyl)-2,6-dioxo-purin-7-yl]octadecan-2-olate CAS Name: 18-[3-(2-bromoethyl)-1-(3-hydroxypentyl)-2,6-dioxo-7-purinyl]-2-octadecanolate IUPAC Name: 18-[3-(2-bromoethyl)-1-(3-hydroxypentyl)-2,6-dioxopurin-7-yl]octadecan-2-olate Traditional Name: 18-[3-(2-bromoethyl)-1-(3-hydroxypentyl)-2,6-diketo-purin-7-yl]octadecan-2-olate Formula: C30H52BrN4O4- MolecularWeight: 612.66228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN1C(=O)C2=C(N=CN2CCCCCCCCCCCCCCCCC(C)[O-])N(C1=O)CCBr)O

Isomeric SMILES

CCC(CCN1C(=O)C2=C(N=CN2CCCCCCCCCCCCCCCCC(C)[O-])N(C1=O)CCBr)O

InChI

InChI=1S/C30H52BrN4O4/c1-3-26(37)19-22-35-29(38)27-28(34(23-20-31)30(35)39)32-24-33(27)21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-25(2)36/h24-26,37H,3-23H2,1-2H3/q-1