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

Systemtic Name: (2S,4S,5R)-N-ethyl-3,4-bis(oxidanyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolane-2-carboxamide Openeye Name: (2S,4S,5R)-5-[6-(benzylamino)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: (2S,4S,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(phenylmethyl)amino]-9-purinyl]-2-oxolanecarboxamide IUPAC Name: (2S,4S,5R)-5-[6-(benzylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: (2S,4S,5R)-5-[6-(benzylamino)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O)O

Isomeric SMILES

CCNC(=O)[C@@H]1C([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O)O

InChI

InChI=1S/C19H22N6O4/c1-2-20-18(28)15-13(26)14(27)19(29-15)25-10-24-12-16(22-9-23-17(12)25)21-8-11-6-4-3-5-7-11/h3-7,9-10,13-15,19,26-27H,2,8H2,1H3,(H,20,28)(H,21,22,23)/t13?,14-,15-,19+/m0/s1