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

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

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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/C30H53BrN4O4/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/h23-26,36-37H,4-22H2,1-3H3