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

Systemtic Name: 4-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]-2-azanyl-butanenitrile Openeye Name: 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanenitrile CAS Name: 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methylthio]butanenitrile IUPAC Name: 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanenitrile Traditional Name: 4-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methylthio]-2-amino-butyronitrile Formula: C14H19N7O3S MolecularWeight: 365.41076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N7O3S/c15-3-7(16)1-2-25-4-8-10(22)11(23)14(24-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,1-2,4,16H2,(H2,17,18,19)