2-[6-azanyl-2-[5-(1-oxidanylcyclopropyl)pent-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[5-(1-oxidanylcyclopropyl)pent-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[5-(1-hydroxycyclopropyl)pent-1-ynyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[5-(1-hydroxycyclopropyl)pent-1-ynyl]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[5-(1-hydroxycyclopropyl)pent-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[5-(1-hydroxycyclopropyl)pent-1-ynyl]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CCCC#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1CC1(CCCC#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C18H23N5O5/c19-15-12-16(22-11(21-15)4-2-1-3-5-18(27)6-7-18)23(9-20-12)17-14(26)13(25)10(8-24)28-17/h9-10,13-14,17,24-27H,1,3,5-8H2,(H2,19,21,22)