4-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfinyl]-2-azanyl-butanoic acid

Systemtic Name: 4-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfinyl]-2-azanyl-butanoic acid Openeye Name: 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfinyl]butanoic acid CAS Name: 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methylsulfinyl]butanoic acid IUPAC Name: 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]butanoic acid Traditional Name: 4-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methylsulfinyl]-2-amino-butyric acid Formula: C14H20N6O6S MolecularWeight: 400.4102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O6S/c15-6(14(23)24)1-2-27(25)3-7-9(21)10(22)13(26-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)