N-butyl-2-(phenylmethylsulfanyl)-5H-purin-6-amine

Systemtic Name: N-butyl-2-(phenylmethylsulfanyl)-5H-purin-6-amine Openeye Name: 2-benzylsulfanyl-N-butyl-5H-purin-6-amine CAS Name: N-butyl-2-(phenylmethylthio)-5H-purin-6-amine IUPAC Name: 2-benzylsulfanyl-N-butyl-5H-purin-6-amine Traditional Name: [2-(benzylthio)-5H-purin-6-yl]-butyl-amine Formula: C16H19N5S MolecularWeight: 313.42056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=NC=NC21)SCC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NC(=NC2=NC=NC21)SCC3=CC=CC=C3

InChI

InChI=1S/C16H19N5S/c1-2-3-9-17-14-13-15(19-11-18-13)21-16(20-14)22-10-12-7-5-4-6-8-12/h4-8,11,13H,2-3,9-10H2,1H3,(H,17,18,19,20,21)