3-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]propan-1-ol

Systemtic Name: 3-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]propan-1-ol Openeye Name: 3-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]propan-1-ol CAS Name: 3-[6-[(4-nitrophenyl)methylthio]-9-purinyl]-1-propanol IUPAC Name: 3-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]propan-1-ol Traditional Name: 3-[6-[(4-nitrobenzyl)thio]purin-9-yl]propan-1-ol Formula: C15H15N5O3S MolecularWeight: 345.3763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3CCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3CCCO)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O3S/c21-7-1-6-19-10-18-13-14(19)16-9-17-15(13)24-8-11-2-4-12(5-3-11)20(22)23/h2-5,9-10,21H,1,6-8H2