2-(6-aminopurin-9-yl)-5-[4-(1-oxidanylcyclopropyl)but-1-ynoxymethyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[4-(1-oxidanylcyclopropyl)but-1-ynoxymethyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[4-(1-hydroxycyclopropyl)but-1-ynoxymethyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[4-(1-hydroxycyclopropyl)but-1-ynoxymethyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[4-(1-hydroxycyclopropyl)but-1-ynoxymethyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[4-(1-hydroxycyclopropyl)but-1-ynoxymethyl]tetrahydrofuran-3,4-diol Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CCC#COCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)O

Isomeric SMILES

C1CC1(CCC#COCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)O

InChI

InChI=1S/C17H21N5O5/c18-14-11-15(20-8-19-14)22(9-21-11)16-13(24)12(23)10(27-16)7-26-6-2-1-3-17(25)4-5-17/h8-10,12-13,16,23-25H,1,3-5,7H2,(H2,18,19,20)