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

Systemtic Name: N-ethyl-3,4-bis(oxidanyl)-5-[6-[(phenylmethyl)carbamoylamino]purin-9-yl]oxolane-2-carboxamide Openeye Name: 5-[6-(benzylcarbamoylamino)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: N-ethyl-3,4-dihydroxy-5-[6-[[oxo-[(phenylmethyl)amino]methyl]amino]-9-purinyl]-2-oxolanecarboxamide IUPAC Name: 5-[6-(benzylcarbamoylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[6-(benzylcarbamoylamino)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C20H23N7O5 MolecularWeight: 441.44052

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)NCC4=CC=CC=C4)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)NCC4=CC=CC=C4)O)O

InChI

InChI=1S/C20H23N7O5/c1-2-21-18(30)15-13(28)14(29)19(32-15)27-10-25-12-16(23-9-24-17(12)27)26-20(31)22-8-11-6-4-3-5-7-11/h3-7,9-10,13-15,19,28-29H,2,8H2,1H3,(H,21,30)(H2,22,23,24,26,31)