3-(phenylmethyl)-8-propan-2-ylsulfanyl-purin-6-amine

Systemtic Name: 3-(phenylmethyl)-8-propan-2-ylsulfanyl-purin-6-amine Openeye Name: 3-benzyl-8-isopropylsulfanyl-purin-6-amine CAS Name: 3-(phenylmethyl)-8-(propan-2-ylthio)-6-purinamine IUPAC Name: 3-benzyl-8-propan-2-ylsulfanylpurin-6-amine Traditional Name: [3-benzyl-8-(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(N=CN(C2=N1)CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)SC1=NC2=C(N=CN(C2=N1)CC3=CC=CC=C3)N

InChI

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