2-[6-(ethoxyamino)-2-(4-oxidanylpent-1-ynyl)purin-9-yl]oxolane-3,3,4,4-tetrol

Systemtic Name: 2-[6-(ethoxyamino)-2-(4-oxidanylpent-1-ynyl)purin-9-yl]oxolane-3,3,4,4-tetrol Openeye Name: 2-[6-(ethoxyamino)-2-(4-hydroxypent-1-ynyl)purin-9-yl]tetrahydrofuran-3,3,4,4-tetrol CAS Name: 2-[6-(ethoxyamino)-2-(4-hydroxypent-1-ynyl)-9-purinyl]oxolane-3,3,4,4-tetrol IUPAC Name: 2-[6-(ethoxyamino)-2-(4-hydroxypent-1-ynyl)purin-9-yl]oxolane-3,3,4,4-tetrol Traditional Name: 2-[6-(ethoxyamino)-2-(4-hydroxypent-1-ynyl)purin-9-yl]tetrahydrofuran-3,3,4,4-tetrol Formula: C16H21N5O7 MolecularWeight: 395.36724

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Descriptors Computed from Structure

Canonical SMILES:

CCONC1=NC(=NC2=C1N=CN2C3C(C(CO3)(O)O)(O)O)C#CCC(C)O

Isomeric SMILES

CCONC1=NC(=NC2=C1N=CN2C3C(C(CO3)(O)O)(O)O)C#CCC(C)O

InChI

InChI=1S/C16H21N5O7/c1-3-28-20-12-11-13(19-10(18-12)6-4-5-9(2)22)21(8-17-11)14-16(25,26)15(23,24)7-27-14/h8-9,14,22-26H,3,5,7H2,1-2H3,(H,18,19,20)