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

Systemtic Name: 5-[6-azanyl-2-(5-chloranylpent-1-ynyl)purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-amino-2-(5-chloropent-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[6-amino-2-(5-chloropent-1-ynyl)-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[6-amino-2-(5-chloropent-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[6-amino-2-(5-chloropent-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C17H21ClN6O4 MolecularWeight: 408.83944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN6O4/c1-2-20-16(27)13-11(25)12(26)17(28-13)24-8-21-10-14(19)22-9(23-15(10)24)6-4-3-5-7-18/h8,11-13,17,25-26H,2-3,5,7H2,1H3,(H,20,27)(H2,19,22,23)