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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN1C2=C(C(=O)N(C1=O)CCCCCCCCCCCCCCCCC(C)[O-])N(C=N2)C(C)Br)O

Isomeric SMILES

CCC(CCN1C2=C(C(=O)N(C1=O)CCCCCCCCCCCCCCCCC(C)[O-])N(C=N2)C(C)Br)O

InChI

InChI=1S/C30H52BrN4O4/c1-4-26(37)20-22-33-28-27(35(23-32-28)25(3)31)29(38)34(30(33)39)21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24(2)36/h23-26,37H,4-22H2,1-3H3/q-1