9-[2-[bis[4-(diethylamino)phenoxy]phosphorylmethoxy]ethoxy]purin-6-amine

Systemtic Name: 9-[2-[bis[4-(diethylamino)phenoxy]phosphorylmethoxy]ethoxy]purin-6-amine Openeye Name: 9-[2-[bis[4-(diethylamino)phenoxy]phosphorylmethoxy]ethoxy]purin-6-amine CAS Name: 9-[2-[bis[4-(diethylamino)phenoxy]phosphorylmethoxy]ethoxy]-6-purinamine IUPAC Name: 9-[2-[bis[4-(diethylamino)phenoxy]phosphorylmethoxy]ethoxy]purin-6-amine Traditional Name: [4-[2-adenin-9-yloxyethoxymethyl-[4-(diethylamino)phenoxy]phosphoryl]oxyphenyl]-diethyl-amine Formula: C28H38N7O5P MolecularWeight: 583.618981

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)OP(=O)(COCCON2C=NC3=C2N=CN=C3N)OC4=CC=C(C=C4)N(CC)CC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)OP(=O)(COCCON2C=NC3=C2N=CN=C3N)OC4=CC=C(C=C4)N(CC)CC

InChI

InChI=1S/C28H38N7O5P/c1-5-33(6-2)22-9-13-24(14-10-22)39-41(36,40-25-15-11-23(12-16-25)34(7-3)8-4)21-37-17-18-38-35-20-32-26-27(29)30-19-31-28(26)35/h9-16,19-20H,5-8,17-18,21H2,1-4H3,(H2,29,30,31)