4-[[(2S,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methylsulfanyl]-2-azanyl-butanoic acid

Systemtic Name: 4-[[(2S,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methylsulfanyl]-2-azanyl-butanoic acid Openeye Name: 2-amino-4-[[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid CAS Name: 2-amino-4-[[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanyl]methylthio]butanoic acid IUPAC Name: 2-amino-4-[[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methylsulfanyl]butanoic acid Traditional Name: 4-[[(2S,5R)-5-adenin-9-yl-4-hydroxy-tetrahydrofuran-2-yl]methylthio]-2-amino-butyric acid Formula: C14H20N6O4S MolecularWeight: 368.4114

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CSCCC(C(=O)O)N

Isomeric SMILES

C1[C@H](O[C@H](C1O)N2C=NC3=C2N=CN=C3N)CSCCC(C(=O)O)N

InChI

InChI=1S/C14H20N6O4S/c15-8(14(22)23)1-2-25-4-7-3-9(21)13(24-7)20-6-19-10-11(16)17-5-18-12(10)20/h5-9,13,21H,1-4,15H2,(H,22,23)(H2,16,17,18)/t7-,8?,9?,13+/m0/s1