methyl 5-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carboxylate

Systemtic Name: methyl 5-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carboxylate Openeye Name: methyl 5-(6-amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-carboxylate CAS Name: 5-(6-amino-2-hex-1-ynyl-9-purinyl)-3,4-dihydroxy-2-(hydroxymethyl)-2-oxolanecarboxylic acid methyl ester IUPAC Name: methyl 5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carboxylate Traditional Name: 5-(6-amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-2-methylol-tetrahydrofuran-2-carboxylic acid methyl ester Formula: C18H23N5O6 MolecularWeight: 405.40512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(CO)C(=O)OC)O)O

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(CO)C(=O)OC)O)O

InChI

InChI=1S/C18H23N5O6/c1-3-4-5-6-7-10-21-14(19)11-15(22-10)23(9-20-11)16-12(25)13(26)18(8-24,29-16)17(27)28-2/h9,12-13,16,24-26H,3-5,8H2,1-2H3,(H2,19,21,22)