2-[[8-azanyl-2-(phenylmethylsulfanyl)-7H-purin-6-yl]amino]propan-1-ol

Systemtic Name: 2-[[8-azanyl-2-(phenylmethylsulfanyl)-7H-purin-6-yl]amino]propan-1-ol Openeye Name: 2-[(8-amino-2-benzylsulfanyl-7H-purin-6-yl)amino]propan-1-ol CAS Name: 2-[[8-amino-2-(phenylmethylthio)-7H-purin-6-yl]amino]-1-propanol IUPAC Name: 2-[(8-amino-2-benzylsulfanyl-7H-purin-6-yl)amino]propan-1-ol Traditional Name: 2-[[8-amino-2-(benzylthio)-7H-purin-6-yl]amino]propan-1-ol Formula: C15H18N6OS MolecularWeight: 330.40802

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=C1NC(=N2)N)SCC3=CC=CC=C3

Isomeric SMILES

CC(CO)NC1=NC(=NC2=C1NC(=N2)N)SCC3=CC=CC=C3

InChI

InChI=1S/C15H18N6OS/c1-9(7-22)17-12-11-13(19-14(16)18-11)21-15(20-12)23-8-10-5-3-2-4-6-10/h2-6,9,22H,7-8H2,1H3,(H4,16,17,18,19,20,21)