N-butyl-8-methyl-2-(phenylmethylsulfanyl)-7H-purin-6-amine

Systemtic Name: N-butyl-8-methyl-2-(phenylmethylsulfanyl)-7H-purin-6-amine Openeye Name: 2-benzylsulfanyl-N-butyl-8-methyl-7H-purin-6-amine CAS Name: N-butyl-8-methyl-2-(phenylmethylthio)-7H-purin-6-amine IUPAC Name: 2-benzylsulfanyl-N-butyl-8-methyl-7H-purin-6-amine Traditional Name: [2-(benzylthio)-8-methyl-7H-purin-6-yl]-butyl-amine Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1NC(=N2)C)SCC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NC(=NC2=C1NC(=N2)C)SCC3=CC=CC=C3

InChI

InChI=1S/C17H21N5S/c1-3-4-10-18-15-14-16(20-12(2)19-14)22-17(21-15)23-11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H2,18,19,20,21,22)