2-[3-(dimethylamino)propylsulfanyl]-9-(phenylmethyl)purin-6-amine

Systemtic Name: 2-[3-(dimethylamino)propylsulfanyl]-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-[3-(dimethylamino)propylsulfanyl]purin-6-amine CAS Name: 2-[3-(dimethylamino)propylthio]-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-[3-(dimethylamino)propylsulfanyl]purin-6-amine Traditional Name: 3-[(6-amino-9-benzyl-purin-2-yl)thio]propyl-dimethyl-amine Formula: C17H22N6S MolecularWeight: 342.46178

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C17H22N6S/c1-22(2)9-6-10-24-17-20-15(18)14-16(21-17)23(12-19-14)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,18,20,21)