2-phenyl-9-(phenylmethyl)-8-(phenylmethylsulfanyl)purin-6-amine

Systemtic Name: 2-phenyl-9-(phenylmethyl)-8-(phenylmethylsulfanyl)purin-6-amine Openeye Name: 9-benzyl-8-benzylsulfanyl-2-phenyl-purin-6-amine CAS Name: 2-phenyl-9-(phenylmethyl)-8-(phenylmethylthio)-6-purinamine IUPAC Name: 9-benzyl-8-benzylsulfanyl-2-phenylpurin-6-amine Traditional Name: [9-benzyl-8-(benzylthio)-2-phenyl-purin-6-yl]amine Formula: C25H21N5S MolecularWeight: 423.53274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C4=CC=CC=C4)N)N=C2SCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C4=CC=CC=C4)N)N=C2SCC5=CC=CC=C5

InChI

InChI=1S/C25H21N5S/c26-22-21-24(29-23(28-22)20-14-8-3-9-15-20)30(16-18-10-4-1-5-11-18)25(27-21)31-17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H2,26,28,29)