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

Systemtic Name: 2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid Openeye Name: 2-(4-amino-2-oxo-pyrimidin-1-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid CAS Name: 2-(4-amino-2-oxo-1-pyrimidinyl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid IUPAC Name: 2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid Traditional Name: 2-(4-amino-2-keto-pyrimidin-1-yl)ethoxymethyl-(3-cetyloxypropoxy)phosphinic acid Formula: C26H50N3O6P MolecularWeight: 531.665461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)(COCCN1C=CC(=NC1=O)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(COCCN1C=CC(=NC1=O)N)O

InChI

InChI=1S/C26H50N3O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-33-21-16-22-35-36(31,32)24-34-23-19-29-18-17-25(27)28-26(29)30/h17-18H,2-16,19-24H2,1H3,(H,31,32)(H2,27,28,30)