2-phenethylsulfanyl-9-prop-2-ynyl-purin-6-amine

Systemtic Name: 2-phenethylsulfanyl-9-prop-2-ynyl-purin-6-amine Openeye Name: 2-phenethylsulfanyl-9-prop-2-ynyl-purin-6-amine CAS Name: 2-(phenethylthio)-9-prop-2-ynyl-6-purinamine IUPAC Name: 2-phenethylsulfanyl-9-prop-2-ynylpurin-6-amine Traditional Name: [2-(phenethylthio)-9-propargyl-purin-6-yl]amine Formula: C16H15N5S MolecularWeight: 309.3888

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=NC2=C1N=C(N=C2N)SCCC3=CC=CC=C3

Isomeric SMILES

C#CCN1C=NC2=C1N=C(N=C2N)SCCC3=CC=CC=C3

InChI

InChI=1S/C16H15N5S/c1-2-9-21-11-18-13-14(17)19-16(20-15(13)21)22-10-8-12-6-4-3-5-7-12/h1,3-7,11H,8-10H2,(H2,17,19,20)