2-[[8-azanyl-2-[(4-methylphenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol

Systemtic Name: 2-[[8-azanyl-2-[(4-methylphenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol Openeye Name: 2-[[8-amino-2-(p-tolylmethylsulfanyl)-7H-purin-6-yl]amino]propan-1-ol CAS Name: 2-[[8-amino-2-[(4-methylphenyl)methylthio]-7H-purin-6-yl]amino]-1-propanol IUPAC Name: 2-[[8-amino-2-[(4-methylphenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol Traditional Name: 2-[[8-amino-2-[(4-methylbenzyl)thio]-7H-purin-6-yl]amino]propan-1-ol Formula: C16H20N6OS MolecularWeight: 344.4346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)NC(C)CO)NC(=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)NC(C)CO)NC(=N3)N

InChI

InChI=1S/C16H20N6OS/c1-9-3-5-11(6-4-9)8-24-16-21-13(18-10(2)7-23)12-14(22-16)20-15(17)19-12/h3-6,10,23H,7-8H2,1-2H3,(H4,17,18,19,20,21,22)