9-[2-[bis(6-methylheptoxy)phosphorylmethoxy]ethyl]-N6-cyclopropyl-purine-2,6-diamine

Systemtic Name: 9-[2-[bis(6-methylheptoxy)phosphorylmethoxy]ethyl]-N6-cyclopropyl-purine-2,6-diamine Openeye Name: 9-[2-[bis(6-methylheptoxy)phosphorylmethoxy]ethyl]-N6-cyclopropyl-purine-2,6-diamine CAS Name: 9-[2-[bis(6-methylheptoxy)phosphorylmethoxy]ethyl]-N6-cyclopropylpurine-2,6-diamine IUPAC Name: 9-[2-[bis(6-methylheptoxy)phosphorylmethoxy]ethyl]-6-N-cyclopropylpurine-2,6-diamine Traditional Name: [2-amino-9-[2-[bis(6-methylheptoxy)phosphorylmethoxy]ethyl]purin-6-yl]-cyclopropyl-amine Formula: C27H49N6O4P MolecularWeight: 552.689521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOP(=O)(COCCN1C=NC2=C1N=C(N=C2NC3CC3)N)OCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCOP(=O)(COCCN1C=NC2=C1N=C(N=C2NC3CC3)N)OCCCCCC(C)C

InChI

InChI=1S/C27H49N6O4P/c1-21(2)11-7-5-9-16-36-38(34,37-17-10-6-8-12-22(3)4)20-35-18-15-33-19-29-24-25(30-23-13-14-23)31-27(28)32-26(24)33/h19,21-23H,5-18,20H2,1-4H3,(H3,28,30,31,32)