2-(aminocarbonylamino)-6-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azanyl-hexanamide

Systemtic Name: 2-(aminocarbonylamino)-6-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azanyl-hexanamide Openeye Name: 5-amino-6-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-ureido-hexanamide CAS Name: 5-amino-6-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-2-(carbamoylamino)hexanamide IUPAC Name: 5-amino-6-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-(carbamoylamino)hexanamide Traditional Name: 6-(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)-5-amino-2-ureido-hexanamide Formula: C16H25N9O5 MolecularWeight: 423.427

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CC(CCC(C(=O)N)NC(=O)N)N)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CC(CCC(C(=O)N)NC(=O)N)N)O)O

InChI

InChI=1S/C16H25N9O5/c17-6(1-2-7(13(19)28)24-16(20)29)3-8-10(26)11(27)15(30-8)25-5-23-9-12(18)21-4-22-14(9)25/h4-8,10-11,15,26-27H,1-3,17H2,(H2,19,28)(H2,18,21,22)(H3,20,24,29)