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2-(6-aminopurin-9-yl)-5-(oct-2-ynoxymethyl)oxolane-3,4-diol hydrate

2-(6-aminopurin-9-yl)-5-(oct-2-ynoxymethyl)oxolane-3,4-diol hydrate

Systemtic Name:2-(6-aminopurin-9-yl)-5-(oct-2-ynoxymethyl)oxolane-3,4-diol hydrate
Openeye Name:2-(6-aminopurin-9-yl)-5-(oct-2-ynoxymethyl)tetrahydrofuran-3,4-diol hydrate
CAS Name:2-(6-aminopurin-9-yl)-5-(oct-2-ynoxymethyl)oxolane-3,4-diol hydrate
IUPAC Name:2-(6-aminopurin-9-yl)-5-(oct-2-ynoxymethyl)oxolane-3,4-diol hydrate
Traditional Name:2-adenin-9-yl-5-(oct-2-ynoxymethyl)tetrahydrofuran-3,4-diol hydrate
Formula: C18H27N5O5
MolecularWeight: 393.43748
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCOCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.O


Isomeric SMILES

CCCCCC#CCOCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.O


InChI

InChI=1S/C18H25N5O4.H2O/c1-2-3-4-5-6-7-8-26-9-12-14(24)15(25)18(27-12)23-11-22-13-16(19)20-10-21-17(13)23;/h10-12,14-15,18,24-25H,2-5,8-9H2,1H3,(H2,19,20,21);1H2


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