1-(phenylmethylsulfanyl)-1-(7H-purin-6-ylamino)propan-1-ol

Systemtic Name: 1-(phenylmethylsulfanyl)-1-(7H-purin-6-ylamino)propan-1-ol Openeye Name: 1-benzylsulfanyl-1-(7H-purin-6-ylamino)propan-1-ol CAS Name: 1-(phenylmethylthio)-1-(7H-purin-6-ylamino)-1-propanol IUPAC Name: 1-benzylsulfanyl-1-(7H-purin-6-ylamino)propan-1-ol Traditional Name: 1-(benzylthio)-1-(7H-purin-6-ylamino)propan-1-ol Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=NC=NC2=C1NC=N2)(O)SCC3=CC=CC=C3

Isomeric SMILES

CCC(NC1=NC=NC2=C1NC=N2)(O)SCC3=CC=CC=C3

InChI

InChI=1S/C15H17N5OS/c1-2-15(21,22-8-11-6-4-3-5-7-11)20-14-12-13(17-9-16-12)18-10-19-14/h3-7,9-10,21H,2,8H2,1H3,(H2,16,17,18,19,20)