5-(6-aminopurin-9-yl)-2-[[[(2E)-6-methylhepta-2,6-dienoxy]-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-ol

Systemtic Name: 5-(6-aminopurin-9-yl)-2-[[[(2E)-6-methylhepta-2,6-dienoxy]-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-ol Openeye Name: 5-(6-aminopurin-9-yl)-2-[[hydroxy-[(2E)-6-methylhepta-2,6-dienoxy]phosphinothioyl]oxymethyl]tetrahydrofuran-3-ol CAS Name: 5-(6-aminopurin-9-yl)-2-[[hydroxy-[(2E)-6-methylhepta-2,6-dienoxy]phosphinothioyl]oxymethyl]-3-oxolanol IUPAC Name: 5-(6-aminopurin-9-yl)-2-[[hydroxy-[(2E)-6-methylhepta-2,6-dienoxy]phosphinothioyl]oxymethyl]oxolan-3-ol Traditional Name: 5-adenin-9-yl-2-[[hydroxy-[(2E)-6-methylhepta-2,6-dienoxy]thiophosphoryl]oxymethyl]tetrahydrofuran-3-ol Formula: C18H26N5O5PS MolecularWeight: 455.468301

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CCC=CCOP(=S)(O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

CC(=C)CC/C=C/COP(=S)(O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C18H26N5O5PS/c1-12(2)6-4-3-5-7-26-29(25,30)27-9-14-13(24)8-15(28-14)23-11-22-16-17(19)20-10-21-18(16)23/h3,5,10-11,13-15,24H,1,4,6-9H2,2H3,(H,25,30)(H2,19,20,21)/b5-3+