sodium 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 3-hexadecoxypropyl phosphate

Systemtic Name: sodium 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 3-hexadecoxypropyl phosphate Openeye Name: sodium 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-hexadecoxypropyl phosphate CAS Name: sodium 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-hexadecoxypropyl phosphate IUPAC Name: sodium 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-hexadecoxypropyl phosphate Traditional Name: sodium 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl 3-cetyloxypropyl phosphate Formula: C27H49N5NaO7P MolecularWeight: 609.670791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)([O-])OCCOCN1C=NC2=C1NC(=NC2=O)N.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)([O-])OCCOCN1C=NC2=C1NC(=NC2=O)N.[Na+]

InChI

InChI=1S/C27H50N5O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-36-18-16-19-38-40(34,35)39-21-20-37-23-32-22-29-24-25(32)30-27(28)31-26(24)33;/h22H,2-21,23H2,1H3,(H,34,35)(H3,28,30,31,33);/q;+1/p-1