[5-(6-azanyl-2-chloranyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl phosphate; N-octyloctan-1-amine

Systemtic Name: [5-(6-azanyl-2-chloranyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl phosphate; N-octyloctan-1-amine Openeye Name: [5-(6-amino-2-chloro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate; N-octyloctan-1-amine CAS Name: [5-(6-amino-2-chloro-9-purinyl)-3-hydroxy-2-oxolanyl]methyl phosphate; N-octyl-1-octanamine IUPAC Name: [5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphate; N-octyloctan-1-amine Traditional Name: [5-(6-amino-2-chloro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate; dioctylamine Formula: C26H46ClN6O6P-2 MolecularWeight: 605.106801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCCCCCCCC.C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)COP(=O)([O-])[O-])O

Isomeric SMILES

CCCCCCCCNCCCCCCCC.C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)COP(=O)([O-])[O-])O

InChI

InChI=1S/C16H35N.C10H13ClN5O6P/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(22-6)2-21-23(18,19)20/h17H,3-16H2,1-2H3;3-6,17H,1-2H2,(H2,12,14,15)(H2,18,19,20)/p-2