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

Systemtic Name: 2-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methylamino]-4-(methylthio)butyric acid Formula: C15H22N6O5S MolecularWeight: 398.43738

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CSCCC(C(=O)O)NCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C15H22N6O5S/c1-27-3-2-7(15(24)25)17-4-8-10(22)11(23)14(26-8)21-6-20-9-12(16)18-5-19-13(9)21/h5-8,10-11,14,17,22-23H,2-4H2,1H3,(H,24,25)(H2,16,18,19)