[5-(6-azanyl-2-chloranyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 3-dodecylsulfanyldecan-2-yloxy propyl phosphate

Systemtic Name: [5-(6-azanyl-2-chloranyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 3-dodecylsulfanyldecan-2-yloxy propyl phosphate Openeye Name: [5-(6-amino-2-chloro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (2-dodecylsulfanyl-1-methyl-nonoxy) propyl phosphate CAS Name: phosphoric acid [5-(6-amino-2-chloro-9-purinyl)-3-hydroxy-2-oxolanyl]methyl 3-(dodecylthio)decan-2-yloxy propyl ester IUPAC Name: [5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 3-dodecylsulfanyldecan-2-yloxy propyl phosphate Traditional Name: phosphoric acid [5-(6-amino-2-chloro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [2-(laurylthio)-1-methyl-nonoxy] propyl ester Formula: C35H63ClN5O7PS MolecularWeight: 764.395781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(CCCCCCC)C(C)OOP(=O)(OCCC)OCC1C(CC(O1)N2C=NC3=C2N=C(N=C3N)Cl)O

Isomeric SMILES

CCCCCCCCCCCCSC(CCCCCCC)C(C)OOP(=O)(OCCC)OCC1C(CC(O1)N2C=NC3=C2N=C(N=C3N)Cl)O

InChI

InChI=1S/C35H63ClN5O7PS/c1-5-8-10-12-13-14-15-16-18-20-23-50-30(21-19-17-11-9-6-2)27(4)47-48-49(43,44-22-7-3)45-25-29-28(42)24-31(46-29)41-26-38-32-33(37)39-35(36)40-34(32)41/h26-31,42H,5-25H2,1-4H3,(H2,37,39,40)