3-(2-bromoethyl)-7-(17-oxidanyloctadecyl)-1-(3-oxidanylpentyl)purine-2,6-dione

Systemtic Name: 3-(2-bromoethyl)-7-(17-oxidanyloctadecyl)-1-(3-oxidanylpentyl)purine-2,6-dione Openeye Name: 3-(2-bromoethyl)-7-(17-hydroxyoctadecyl)-1-(3-hydroxypentyl)purine-2,6-dione CAS Name: 3-(2-bromoethyl)-7-(17-hydroxyoctadecyl)-1-(3-hydroxypentyl)purine-2,6-dione IUPAC Name: 3-(2-bromoethyl)-7-(17-hydroxyoctadecyl)-1-(3-hydroxypentyl)purine-2,6-dione Traditional Name: 3-(2-bromoethyl)-7-(17-hydroxyoctadecyl)-1-(3-hydroxypentyl)xanthine Formula: C30H53BrN4O4 MolecularWeight: 613.67022

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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/C30H53BrN4O4/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/h24-26,36-37H,3-23H2,1-2H3