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

Systemtic Name: (2S,3S,4R,5R)-3-azanyl-N-methyl-4-oxidanyl-5-[6-(2-pyridin-3-ylethylamino)purin-9-yl]oxolane-2-carboxamide Openeye Name: (2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-[6-[2-(3-pyridyl)ethylamino]purin-9-yl]tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-[6-[2-(3-pyridinyl)ethylamino]-9-purinyl]-2-oxolanecarboxamide IUPAC Name: (2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-[6-(2-pyridin-3-ylethylamino)purin-9-yl]oxolane-2-carboxamide Traditional Name: (2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-[6-[2-(3-pyridyl)ethylamino]purin-9-yl]tetrahydrofuran-2-carboxamide Formula: C18H22N8O3 MolecularWeight: 398.41908

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCCC4=CN=CC=C4)O)N

Isomeric SMILES

CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3NCCC4=CN=CC=C4)O)N

InChI

InChI=1S/C18H22N8O3/c1-20-17(28)14-11(19)13(27)18(29-14)26-9-25-12-15(23-8-24-16(12)26)22-6-4-10-3-2-5-21-7-10/h2-3,5,7-9,11,13-14,18,27H,4,6,19H2,1H3,(H,20,28)(H,22,23,24)/t11-,13+,14-,18+/m0/s1