4-(9-methyl-6-phenylsulfanyl-purin-8-yl)but-3-yn-1-ol

Systemtic Name: 4-(9-methyl-6-phenylsulfanyl-purin-8-yl)but-3-yn-1-ol Openeye Name: 4-(9-methyl-6-phenylsulfanyl-purin-8-yl)but-3-yn-1-ol CAS Name: 4-[9-methyl-6-(phenylthio)-8-purinyl]-3-butyn-1-ol IUPAC Name: 4-(9-methyl-6-phenylsulfanylpurin-8-yl)but-3-yn-1-ol Traditional Name: 4-[9-methyl-6-(phenylthio)purin-8-yl]but-3-yn-1-ol Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1N=CN=C2SC3=CC=CC=C3)C#CCCO

Isomeric SMILES

CN1C(=NC2=C1N=CN=C2SC3=CC=CC=C3)C#CCCO

InChI

InChI=1S/C16H14N4OS/c1-20-13(9-5-6-10-21)19-14-15(20)17-11-18-16(14)22-12-7-3-2-4-8-12/h2-4,7-8,11,21H,6,10H2,1H3