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

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[5-(1-oxidanylcyclopropyl)pent-1-ynoxymethyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[5-(1-hydroxycyclopropyl)pent-1-ynoxymethyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[5-(1-hydroxycyclopropyl)pent-1-ynoxymethyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[5-(1-hydroxycyclopropyl)pent-1-ynoxymethyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[5-(1-hydroxycyclopropyl)pent-1-ynoxymethyl]tetrahydrofuran-3,4-diol Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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