2-(6-aminopurin-9-yl)-5-(heptylsulfanylmethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(heptylsulfanylmethyl)oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(heptylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[(heptylthio)methyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(heptylsulfanylmethyl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[(heptylthio)methyl]tetrahydrofuran-3,4-diol Formula: C17H27N5O3S MolecularWeight: 381.49298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CCCCCCCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C17H27N5O3S/c1-2-3-4-5-6-7-26-8-11-13(23)14(24)17(25-11)22-10-21-12-15(18)19-9-20-16(12)22/h9-11,13-14,17,23-24H,2-8H2,1H3,(H2,18,19,20)