1-(2-azanyl-6-prop-2-enylsulfanyl-purin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol

Systemtic Name: 1-(2-azanyl-6-prop-2-enylsulfanyl-purin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol Openeye Name: 1-(6-allylsulfanyl-2-amino-purin-9-yl)-2-(hydroxymethyl)cyclopentanol CAS Name: 1-[2-amino-6-(prop-2-enylthio)-9-purinyl]-2-(hydroxymethyl)-1-cyclopentanol IUPAC Name: 1-(2-amino-6-prop-2-enylsulfanylpurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol Traditional Name: 1-[6-(allylthio)-2-amino-purin-9-yl]-2-methylol-cyclopentanol Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=NC2=C1N=CN2C3(CCCC3CO)O)N

Isomeric SMILES

C=CCSC1=NC(=NC2=C1N=CN2C3(CCCC3CO)O)N

InChI

InChI=1S/C14H19N5O2S/c1-2-6-22-12-10-11(17-13(15)18-12)19(8-16-10)14(21)5-3-4-9(14)7-20/h2,8-9,20-21H,1,3-7H2,(H2,15,17,18)