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

Systemtic Name: 2-(2-azanylethylsulfanyl)-9-(phenylmethyl)purin-6-amine Openeye Name: 2-(2-aminoethylsulfanyl)-9-benzyl-purin-6-amine CAS Name: 2-(2-aminoethylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 2-(2-aminoethylsulfanyl)-9-benzylpurin-6-amine Traditional Name: 2-[(6-amino-9-benzyl-purin-2-yl)thio]ethylamine Formula: C14H16N6S MolecularWeight: 300.38204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)SCCN

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)SCCN

InChI

InChI=1S/C14H16N6S/c15-6-7-21-14-18-12(16)11-13(19-14)20(9-17-11)8-10-4-2-1-3-5-10/h1-5,9H,6-8,15H2,(H2,16,18,19)