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

Systemtic Name: 1-[[8-methyl-2-(phenylmethylsulfanyl)-7H-purin-6-yl]amino]propan-2-ol Openeye Name: 1-[(2-benzylsulfanyl-8-methyl-7H-purin-6-yl)amino]propan-2-ol CAS Name: 1-[[8-methyl-2-(phenylmethylthio)-7H-purin-6-yl]amino]-2-propanol IUPAC Name: 1-[(2-benzylsulfanyl-8-methyl-7H-purin-6-yl)amino]propan-2-ol Traditional Name: 1-[[2-(benzylthio)-8-methyl-7H-purin-6-yl]amino]propan-2-ol Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=NC(=N2)SCC3=CC=CC=C3)NCC(C)O

Isomeric SMILES

CC1=NC2=C(N1)C(=NC(=N2)SCC3=CC=CC=C3)NCC(C)O

InChI

InChI=1S/C16H19N5OS/c1-10(22)8-17-14-13-15(19-11(2)18-13)21-16(20-14)23-9-12-6-4-3-5-7-12/h3-7,10,22H,8-9H2,1-2H3,(H2,17,18,19,20,21)