5-[6-azanyl-2-(5-cyanopent-1-ynyl)purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: 5-[6-azanyl-2-(5-cyanopent-1-ynyl)purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-amino-2-(5-cyanopent-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[6-amino-2-(5-cyanopent-1-ynyl)-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[6-amino-2-(5-cyanopent-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[6-amino-2-(5-cyanopent-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C18H21N7O4 MolecularWeight: 399.40384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CCCCC#N)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CCCCC#N)O)O

InChI

InChI=1S/C18H21N7O4/c1-2-21-17(28)14-12(26)13(27)18(29-14)25-9-22-11-15(20)23-10(24-16(11)25)7-5-3-4-6-8-19/h9,12-14,18,26-27H,2-4,6H2,1H3,(H,21,28)(H2,20,23,24)