2-[6-[[2-(1,3-benzothiazol-2-ylsulfanyl)cyclobutyl]amino]-2-chloranyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-[[2-(1,3-benzothiazol-2-ylsulfanyl)cyclobutyl]amino]-2-chloranyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-[[2-(1,3-benzothiazol-2-ylsulfanyl)cyclobutyl]amino]-2-chloro-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-[[2-(1,3-benzothiazol-2-ylthio)cyclobutyl]amino]-2-chloro-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-[[2-(1,3-benzothiazol-2-ylsulfanyl)cyclobutyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-[[2-(1,3-benzothiazol-2-ylthio)cyclobutyl]amino]-2-chloro-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H21ClN6O4S2 MolecularWeight: 521.01224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl)SC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CC(C1NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl)SC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C21H21ClN6O4S2/c22-20-26-17(14-18(27-20)28(8-23-14)19-16(31)15(30)11(7-29)32-19)24-10-5-6-13(10)34-21-25-9-3-1-2-4-12(9)33-21/h1-4,8,10-11,13,15-16,19,29-31H,5-7H2,(H,24,26,27)