(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-N-phenethyl-oxolane-2-carboxamide

Systemtic Name: (2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-N-phenethyl-oxolane-2-carboxamide Openeye Name: (2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-phenethyl-tetrahydrofuran-2-carboxamide CAS Name: (2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-phenethyl-2-oxolanecarboxamide IUPAC Name: (2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-phenethyloxolane-2-carboxamide Traditional Name: (2S,4S,5R)-5-adenin-9-yl-3,4-dihydroxy-N-phenethyl-tetrahydrofuran-2-carboxamide Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)[C@@H]2C([C@@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C18H20N6O4/c19-15-11-16(22-8-21-15)24(9-23-11)18-13(26)12(25)14(28-18)17(27)20-7-6-10-4-2-1-3-5-10/h1-5,8-9,12-14,18,25-26H,6-7H2,(H,20,27)(H2,19,21,22)/t12?,13-,14-,18+/m0/s1