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

Systemtic Name: 3,4-bis(oxidanyl)-5-[6-(pentan-3-ylamino)purin-9-yl]-N-(phenylmethyl)oxolane-2-carboxamide Openeye Name: N-benzyl-5-[6-(1-ethylpropylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 3,4-dihydroxy-5-[6-(pentan-3-ylamino)-9-purinyl]-N-(phenylmethyl)-2-oxolanecarboxamide IUPAC Name: N-benzyl-3,4-dihydroxy-5-[6-(pentan-3-ylamino)purin-9-yl]oxolane-2-carboxamide Traditional Name: N-benzyl-5-[6-(1-ethylpropylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC=NC2=C1N=CN2C3C(C(C(O3)C(=O)NCC4=CC=CC=C4)O)O

Isomeric SMILES

CCC(CC)NC1=NC=NC2=C1N=CN2C3C(C(C(O3)C(=O)NCC4=CC=CC=C4)O)O

InChI

InChI=1S/C22H28N6O4/c1-3-14(4-2)27-19-15-20(25-11-24-19)28(12-26-15)22-17(30)16(29)18(32-22)21(31)23-10-13-8-6-5-7-9-13/h5-9,11-12,14,16-18,22,29-30H,3-4,10H2,1-2H3,(H,23,31)(H,24,25,27)