5-[8-(3-morpholin-4-yl-2-oxidanyl-propyl)sulfanyl-6-oxidanylidene-3H-purin-9-yl]-2,3,4-tris(oxidanyl)pentanal

Systemtic Name: 5-[8-(3-morpholin-4-yl-2-oxidanyl-propyl)sulfanyl-6-oxidanylidene-3H-purin-9-yl]-2,3,4-tris(oxidanyl)pentanal Openeye Name: 2,3,4-trihydroxy-5-[8-(2-hydroxy-3-morpholino-propyl)sulfanyl-6-oxo-3H-purin-9-yl]pentanal CAS Name: 2,3,4-trihydroxy-5-[8-[[2-hydroxy-3-(4-morpholinyl)propyl]thio]-6-oxo-3H-purin-9-yl]pentanal IUPAC Name: 2,3,4-trihydroxy-5-[8-(2-hydroxy-3-morpholin-4-ylpropyl)sulfanyl-6-oxo-3H-purin-9-yl]pentanal Traditional Name: 2,3,4-trihydroxy-5-[8-[(2-hydroxy-3-morpholino-propyl)thio]-6-keto-3H-purin-9-yl]valeraldehyde Formula: C17H25N5O7S MolecularWeight: 443.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(CSC2=NC3=C(N2CC(C(C(C=O)O)O)O)NC=NC3=O)O

Isomeric SMILES

C1COCCN1CC(CSC2=NC3=C(N2CC(C(C(C=O)O)O)O)NC=NC3=O)O

InChI

InChI=1S/C17H25N5O7S/c23-7-12(26)14(27)11(25)6-22-15-13(16(28)19-9-18-15)20-17(22)30-8-10(24)5-21-1-3-29-4-2-21/h7,9-12,14,24-27H,1-6,8H2,(H,18,19,28)