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

Systemtic Name: 2-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-sulfanyl-butanoic acid Openeye Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylamino]-4-sulfanyl-butanoic acid CAS Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methylamino]-4-mercaptobutanoic acid IUPAC Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-sulfanylbutanoic acid Traditional Name: 2-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methylamino]-4-mercapto-butyric acid Formula: C14H20N6O5S MolecularWeight: 384.4108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CNC(CCS)C(=O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CNC(CCS)C(=O)O)O)O

InChI

InChI=1S/C14H20N6O5S/c15-11-8-12(18-4-17-11)20(5-19-8)13-10(22)9(21)7(25-13)3-16-6(1-2-26)14(23)24/h4-7,9-10,13,16,21-22,26H,1-3H2,(H,23,24)(H2,15,17,18)