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

Systemtic Name: 5-(6-azanyl-2-hept-1-ynyl-purin-9-yl)-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-(6-amino-2-hept-1-ynyl-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-(6-amino-2-hept-1-ynyl-9-purinyl)-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-(6-amino-2-hept-1-ynylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-(6-amino-2-hept-1-ynyl-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C19H26N6O4 MolecularWeight: 402.44754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)NCC)O)O

Isomeric SMILES

CCCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)NCC)O)O

InChI

InChI=1S/C19H26N6O4/c1-3-5-6-7-8-9-11-23-16(20)12-17(24-11)25(10-22-12)19-14(27)13(26)15(29-19)18(28)21-4-2/h10,13-15,19,26-27H,3-7H2,1-2H3,(H,21,28)(H2,20,23,24)