N-ethyl-3,4-bis(oxidanyl)-5-[6-[[(1S)-1-phenylethyl]carbamoylamino]purin-9-yl]oxolane-2-carboxamide

Systemtic Name: N-ethyl-3,4-bis(oxidanyl)-5-[6-[[(1S)-1-phenylethyl]carbamoylamino]purin-9-yl]oxolane-2-carboxamide Openeye Name: N-ethyl-3,4-dihydroxy-5-[6-[[(1S)-1-phenylethyl]carbamoylamino]purin-9-yl]tetrahydrofuran-2-carboxamide CAS Name: N-ethyl-3,4-dihydroxy-5-[6-[[oxo-[[(1S)-1-phenylethyl]amino]methyl]amino]-9-purinyl]-2-oxolanecarboxamide IUPAC Name: N-ethyl-3,4-dihydroxy-5-[6-[[(1S)-1-phenylethyl]carbamoylamino]purin-9-yl]oxolane-2-carboxamide Traditional Name: N-ethyl-3,4-dihydroxy-5-[6-[[(1S)-1-phenylethyl]carbamoylamino]purin-9-yl]tetrahydrofuran-2-carboxamide Formula: C21H25N7O5 MolecularWeight: 455.4671

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)NC(C)C4=CC=CC=C4)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)N[C@@H](C)C4=CC=CC=C4)O)O

InChI

InChI=1S/C21H25N7O5/c1-3-22-19(31)16-14(29)15(30)20(33-16)28-10-25-13-17(23-9-24-18(13)28)27-21(32)26-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,29-30H,3H2,1-2H3,(H,22,31)(H2,23,24,26,27,32)/t11-,14?,15?,16?,20?/m0/s1