5-(6-aminopurin-9-yl)-2-[[oxidanidyl-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]phosphinothioyl]oxymethyl]oxolan-3-ol

Systemtic Name: 5-(6-aminopurin-9-yl)-2-[[oxidanidyl-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]phosphinothioyl]oxymethyl]oxolan-3-ol Openeye Name: 5-(6-aminopurin-9-yl)-2-[[(4-isopropenylcyclohexen-1-yl)methoxy-oxido-phosphinothioyl]oxymethyl]tetrahydrofuran-3-ol CAS Name: 5-(6-aminopurin-9-yl)-2-[[[4-(1-methylethenyl)-1-cyclohexenyl]methoxy-oxidophosphinothioyl]oxymethyl]-3-oxolanol IUPAC Name: 5-(6-aminopurin-9-yl)-2-[[oxido-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]phosphinothioyl]oxymethyl]oxolan-3-ol Traditional Name: 5-adenin-9-yl-2-[[(4-isopropenylcyclohexen-1-yl)methoxy-oxido-thiophosphoryl]oxymethyl]tetrahydrofuran-3-ol Formula: C20H27N5O5PS- MolecularWeight: 480.497641

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)COP(=S)([O-])OCC2C(CC(O2)N3C=NC4=C3N=CN=C4N)O

Isomeric SMILES

CC(=C)C1CCC(=CC1)COP(=S)([O-])OCC2C(CC(O2)N3C=NC4=C3N=CN=C4N)O

InChI

InChI=1S/C20H28N5O5PS/c1-12(2)14-5-3-13(4-6-14)8-28-31(27,32)29-9-16-15(26)7-17(30-16)25-11-24-18-19(21)22-10-23-20(18)25/h3,10-11,14-17,26H,1,4-9H2,2H3,(H,27,32)(H2,21,22,23)/p-1