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

Systemtic Name: (2S,3S,4R,5R)-3-azanyl-N-methyl-4-oxidanyl-5-[6-(phenethylamino)purin-9-yl]oxolane-2-carboxamide Openeye Name: (2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-[6-(phenethylamino)purin-9-yl]tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-[6-(phenethylamino)-9-purinyl]-2-oxolanecarboxamide IUPAC Name: (2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-[6-(phenethylamino)purin-9-yl]oxolane-2-carboxamide Traditional Name: (2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-[6-(phenethylamino)purin-9-yl]tetrahydrofuran-2-carboxamide Formula: C19H23N7O3 MolecularWeight: 397.43102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N7O3/c1-21-18(28)15-12(20)14(27)19(29-15)26-10-25-13-16(23-9-24-17(13)26)22-8-7-11-5-3-2-4-6-11/h2-6,9-10,12,14-15,19,27H,7-8,20H2,1H3,(H,21,28)(H,22,23,24)/t12-,14+,15-,19+/m0/s1