2-(3-methylbutylsulfanyl)-9-(phenylmethyl)purin-6-amine

Systemtic Name: 2-(3-methylbutylsulfanyl)-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-isopentylsulfanyl-purin-6-amine CAS Name: 2-(3-methylbutylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-(3-methylbutylsulfanyl)purin-6-amine Traditional Name: [9-benzyl-2-(isoamylthio)purin-6-yl]amine Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C17H21N5S/c1-12(2)8-9-23-17-20-15(18)14-16(21-17)22(11-19-14)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H2,18,20,21)