2-pentylsulfanyl-9-(phenylmethyl)purin-6-amine

Systemtic Name: 2-pentylsulfanyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-pentylsulfanyl-purin-6-amine CAS Name: 2-(pentylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-pentylsulfanylpurin-6-amine Traditional Name: [2-(amylthio)-9-benzyl-purin-6-yl]amine Formula: C17H21N5S MolecularWeight: 327.44714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CCCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C17H21N5S/c1-2-3-7-10-23-17-20-15(18)14-16(21-17)22(12-19-14)11-13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H2,18,20,21)