2-[2-azanyl-6,8-bis(prop-2-enylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[2-azanyl-6,8-bis(prop-2-enylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6,8-bis(allylsulfanyl)-2-amino-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-amino-6,8-bis(prop-2-enylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-amino-6,8-bis(prop-2-enylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6,8-bis(allylthio)-2-amino-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H21N5O4S2 MolecularWeight: 411.49904

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=NC2=C1N=C(N2C3C(C(C(O3)CO)O)O)SCC=C)N

Isomeric SMILES

C=CCSC1=NC(=NC2=C1N=C(N2C3C(C(C(O3)CO)O)O)SCC=C)N

InChI

InChI=1S/C16H21N5O4S2/c1-3-5-26-13-9-12(19-15(17)20-13)21(16(18-9)27-6-4-2)14-11(24)10(23)8(7-22)25-14/h3-4,8,10-11,14,22-24H,1-2,5-7H2,(H2,17,19,20)