2-(4-azanyl-5-bromanyl-2-oxidanylidene-pyrimidin-1-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid

Systemtic Name: 2-(4-azanyl-5-bromanyl-2-oxidanylidene-pyrimidin-1-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid Openeye Name: 2-(4-amino-5-bromo-2-oxo-pyrimidin-1-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid CAS Name: 2-(4-amino-5-bromo-2-oxo-1-pyrimidinyl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid IUPAC Name: 2-(4-amino-5-bromo-2-oxopyrimidin-1-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid Traditional Name: 2-(4-amino-5-bromo-2-keto-pyrimidin-1-yl)ethoxymethyl-(3-cetyloxypropoxy)phosphinic acid Formula: C26H49BrN3O6P MolecularWeight: 610.561521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)(COCCN1C=C(C(=NC1=O)N)Br)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(COCCN1C=C(C(=NC1=O)N)Br)O

InChI

InChI=1S/C26H49BrN3O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-34-19-16-20-36-37(32,33)23-35-21-17-30-22-24(27)25(28)29-26(30)31/h22H,2-21,23H2,1H3,(H,32,33)(H2,28,29,31)