2-(6-azanyl-2-butylsulfanyl-purin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-azanyl-2-butylsulfanyl-purin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol Openeye Name: 2-(6-amino-2-butylsulfanyl-purin-9-yl)-5-(butylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(butylthio)-9-purinyl]-5-[(butylthio)methyl]oxolane-3,4-diol IUPAC Name: 2-(6-amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(butylthio)purin-9-yl]-5-[(butylthio)methyl]tetrahydrofuran-3,4-diol Formula: C18H29N5O3S2 MolecularWeight: 427.58456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)SCCCC)O)O

Isomeric SMILES

CCCCSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)SCCCC)O)O

InChI

InChI=1S/C18H29N5O3S2/c1-3-5-7-27-9-11-13(24)14(25)17(26-11)23-10-20-12-15(19)21-18(22-16(12)23)28-8-6-4-2/h10-11,13-14,17,24-25H,3-9H2,1-2H3,(H2,19,21,22)