[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-oxolan-2-yl]methyl 3-dodecylsulfanyldecan-2-yloxy propyl phosphate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-oxolan-2-yl]methyl 3-dodecylsulfanyldecan-2-yloxy propyl phosphate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-tetrahydrofuran-2-yl]methyl (2-dodecylsulfanyl-1-methyl-nonoxy) propyl phosphate CAS Name: phosphoric acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-2-oxolanyl]methyl 3-(dodecylthio)decan-2-yloxy propyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-azidooxolan-2-yl]methyl 3-dodecylsulfanyldecan-2-yloxy propyl phosphate Traditional Name: phosphoric acid [5-(2-amino-6-keto-3H-purin-9-yl)-3-azido-tetrahydrofuran-2-yl]methyl [2-(laurylthio)-1-methyl-nonoxy] propyl ester Formula: C35H63N8O7PS MolecularWeight: 770.962881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(CCCCCCC)C(C)OOP(=O)(OCCC)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCCCCCSC(CCCCCCC)C(C)OOP(=O)(OCCC)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)N=[N+]=[N-]

InChI

InChI=1S/C35H63N8O7PS/c1-5-8-10-12-13-14-15-16-18-20-23-52-30(21-19-17-11-9-6-2)27(4)49-50-51(45,46-22-7-3)47-25-29-28(41-42-37)24-31(48-29)43-26-38-32-33(43)39-35(36)40-34(32)44/h26-31H,5-25H2,1-4H3,(H3,36,39,40,44)