8-butyl-6-ethylsulfanyl-N-phenyl-7H-purin-2-amine

Systemtic Name: 8-butyl-6-ethylsulfanyl-N-phenyl-7H-purin-2-amine Openeye Name: 8-butyl-6-ethylsulfanyl-N-phenyl-7H-purin-2-amine CAS Name: 8-butyl-6-(ethylthio)-N-phenyl-7H-purin-2-amine IUPAC Name: 8-butyl-6-ethylsulfanyl-N-phenyl-7H-purin-2-amine Traditional Name: [8-butyl-6-(ethylthio)-7H-purin-2-yl]-phenyl-amine Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C(=NC(=N2)NC3=CC=CC=C3)SCC

Isomeric SMILES

CCCCC1=NC2=C(N1)C(=NC(=N2)NC3=CC=CC=C3)SCC

InChI

InChI=1S/C17H21N5S/c1-3-5-11-13-19-14-15(20-13)21-17(22-16(14)23-4-2)18-12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3,(H2,18,19,20,21,22)