9-(phenylmethyl)-2-propan-2-ylsulfanyl-purin-6-amine

Systemtic Name: 9-(phenylmethyl)-2-propan-2-ylsulfanyl-purin-6-amine Openeye Name: 9-benzyl-2-isopropylsulfanyl-purin-6-amine CAS Name: 9-(phenylmethyl)-2-(propan-2-ylthio)-6-purinamine IUPAC Name: 9-benzyl-2-propan-2-ylsulfanylpurin-6-amine Traditional Name: [9-benzyl-2-(isopropylthio)purin-6-yl]amine Formula: C15H17N5S MolecularWeight: 299.39398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CC(C)SC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C15H17N5S/c1-10(2)21-15-18-13(16)12-14(19-15)20(9-17-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,18,19)