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

Systemtic Name: 5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]-2-azanyl-pentanenitrile Openeye Name: 2-amino-5-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]pentanenitrile CAS Name: 2-amino-5-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methylthio]pentanenitrile IUPAC Name: 2-amino-5-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]pentanenitrile Traditional Name: 5-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methylthio]-2-amino-valeronitrile Formula: C15H21N7O3S MolecularWeight: 379.43734

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CSCCCC(C#N)N)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CSCCCC(C#N)N)O)O

InChI

InChI=1S/C15H21N7O3S/c16-4-8(17)2-1-3-26-5-9-11(23)12(24)15(25-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24H,1-3,5,17H2,(H2,18,19,20)