2-[6-(cyclopentylamino)-2-propylsulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(cyclopentylamino)-2-propylsulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(cyclopentylamino)-2-propylsulfanyl-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(cyclopentylamino)-2-(propylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(cyclopentylamino)-2-propylsulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(cyclopentylamino)-2-(propylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H27N5O4S MolecularWeight: 409.50308

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NC3CCCC3)N=CN2C4C(C(C(O4)CO)O)O

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NC3CCCC3)N=CN2C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H27N5O4S/c1-2-7-28-18-21-15(20-10-5-3-4-6-10)12-16(22-18)23(9-19-12)17-14(26)13(25)11(8-24)27-17/h9-11,13-14,17,24-26H,2-8H2,1H3,(H,20,21,22)