(2S,3R,4S)-5-[6-azanyl-2-(2-pyridin-2-ylethynyl)purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: (2S,3R,4S)-5-[6-azanyl-2-(2-pyridin-2-ylethynyl)purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3R,4S)-5-[6-amino-2-[2-(2-pyridyl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: (2S,3R,4S)-5-[6-amino-2-[2-(2-pyridinyl)ethynyl]-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: (2S,3R,4S)-5-[6-amino-2-(2-pyridin-2-ylethynyl)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: (2S,3R,4S)-5-[6-amino-2-[2-(2-pyridyl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C19H19N7O4 MolecularWeight: 409.39866

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CC4=CC=CC=N4)O)O

Isomeric SMILES

CCNC(=O)[C@@H]1[C@@H]([C@@H](C(O1)N2C=NC3=C2N=C(N=C3N)C#CC4=CC=CC=N4)O)O

InChI

InChI=1S/C19H19N7O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-23-12-16(20)24-11(25-17(12)26)7-6-10-5-3-4-8-22-10/h3-5,8-9,13-15,19,27-28H,2H2,1H3,(H,21,29)(H2,20,24,25)/t13-,14+,15+,19?/m1/s1