8-cyclopentyl-3-(4-oxidanyl-1-sulfonyl-butyl)-1-propyl-7H-purine-2,6-dione

Systemtic Name: 8-cyclopentyl-3-(4-oxidanyl-1-sulfonyl-butyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 8-cyclopentyl-3-(4-hydroxy-1-sulfonyl-butyl)-1-propyl-7H-purine-2,6-dione CAS Name: 8-cyclopentyl-3-(4-hydroxy-1-sulfonylbutyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-cyclopentyl-3-(4-hydroxy-1-sulfonylbutyl)-1-propyl-7H-purine-2,6-dione Traditional Name: 8-cyclopentyl-3-(4-hydroxy-1-sulfonyl-butyl)-1-propyl-7H-purine-2,6-quinone Formula: C17H24N4O5S MolecularWeight: 396.46126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)C(=S(=O)=O)CCCO

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)C(=S(=O)=O)CCCO

InChI

InChI=1S/C17H24N4O5S/c1-2-9-20-16(23)13-15(19-14(18-13)11-6-3-4-7-11)21(17(20)24)12(27(25)26)8-5-10-22/h11,22H,2-10H2,1H3,(H,18,19)