2-(6-azanyl-2-propylsulfanyl-purin-9-yl)-5-(2-dimethylaminoethyloxymethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-azanyl-2-propylsulfanyl-purin-9-yl)-5-(2-dimethylaminoethyloxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-amino-2-propylsulfanyl-purin-9-yl)-5-(2-dimethylaminoethyloxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(propylthio)-9-purinyl]-5-(2-dimethylaminoethyloxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-amino-2-propylsulfanylpurin-9-yl)-5-(2-dimethylaminoethyloxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(propylthio)purin-9-yl]-5-(2-dimethylaminoethyloxymethyl)tetrahydrofuran-3,4-diol Formula: C17H28N6O4S MolecularWeight: 412.50702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COCCN(C)C)O)O

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COCCN(C)C)O)O

InChI

InChI=1S/C17H28N6O4S/c1-4-7-28-17-20-14(18)11-15(21-17)23(9-19-11)16-13(25)12(24)10(27-16)8-26-6-5-22(2)3/h9-10,12-13,16,24-25H,4-8H2,1-3H3,(H2,18,20,21)