2-phenethylsulfanyl-9-(phenylmethyl)purin-6-amine

Systemtic Name: 2-phenethylsulfanyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-phenethylsulfanyl-purin-6-amine CAS Name: 2-(phenethylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-phenethylsulfanylpurin-6-amine Traditional Name: [9-benzyl-2-(phenethylthio)purin-6-yl]amine Formula: C20H19N5S MolecularWeight: 361.46336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=C(C(=N2)N)N=CN3CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=C(C(=N2)N)N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C20H19N5S/c21-18-17-19(25(14-22-17)13-16-9-5-2-6-10-16)24-20(23-18)26-12-11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H2,21,23,24)