N-[[5-(6-azanyl-2-oct-2-ynyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]methanamide

Systemtic Name: N-[[5-(6-azanyl-2-oct-2-ynyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]methanamide Openeye Name: N-[[5-(6-amino-2-oct-2-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]formamide CAS Name: N-[[5-(6-amino-2-oct-2-ynyl-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl]formamide IUPAC Name: N-[[5-(6-amino-2-oct-2-ynylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]formamide Traditional Name: N-[[5-(6-amino-2-oct-2-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]formamide Formula: C19H26N6O4 MolecularWeight: 402.44754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CNC=O)O)O

Isomeric SMILES

CCCCCC#CCC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CNC=O)O)O

InChI

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