9-(2-methylpropyl)-6-(phenylmethylsulfanyl)purin-2-amine

Systemtic Name: 9-(2-methylpropyl)-6-(phenylmethylsulfanyl)purin-2-amine Openeye Name: 6-benzylsulfanyl-9-isobutyl-purin-2-amine CAS Name: 9-(2-methylpropyl)-6-(phenylmethylthio)-2-purinamine IUPAC Name: 6-benzylsulfanyl-9-(2-methylpropyl)purin-2-amine Traditional Name: [6-(benzylthio)-9-isobutyl-purin-2-yl]amine Formula: C16H19N5S MolecularWeight: 313.42056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C16H19N5S/c1-11(2)8-21-10-18-13-14(21)19-16(17)20-15(13)22-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,17,19,20)