1-[5-(6-azanyl-2-oct-1-ynyl-purin-9-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]cyclopropane-1-carboxamide

Systemtic Name: 1-[5-(6-azanyl-2-oct-1-ynyl-purin-9-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]cyclopropane-1-carboxamide Openeye Name: 1-[5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]cyclopropanecarboxamide CAS Name: 1-[5-(6-amino-2-oct-1-ynyl-9-purinyl)-3,4-dihydroxy-2-(hydroxymethyl)-2-oxolanyl]-1-cyclopropanecarboxamide IUPAC Name: 1-[5-(6-amino-2-oct-1-ynylpurin-9-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]cyclopropane-1-carboxamide Traditional Name: 1-[5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-dihydroxy-2-methylol-tetrahydrofuran-2-yl]cyclopropanecarboxamide Formula: C22H30N6O5 MolecularWeight: 458.5108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(CO)C4(CC4)C(=O)N)O)O

Isomeric SMILES

CCCCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(CO)C4(CC4)C(=O)N)O)O

InChI

InChI=1S/C22H30N6O5/c1-2-3-4-5-6-7-8-13-26-17(23)14-18(27-13)28(12-25-14)19-15(30)16(31)22(11-29,33-19)21(9-10-21)20(24)32/h12,15-16,19,29-31H,2-6,9-11H2,1H3,(H2,24,32)(H2,23,26,27)