N-(4-butylphenyl)-6-methylsulfanyl-7H-purin-2-amine

Systemtic Name: N-(4-butylphenyl)-6-methylsulfanyl-7H-purin-2-amine Openeye Name: N-(4-butylphenyl)-6-methylsulfanyl-7H-purin-2-amine CAS Name: N-(4-butylphenyl)-6-(methylthio)-7H-purin-2-amine IUPAC Name: N-(4-butylphenyl)-6-methylsulfanyl-7H-purin-2-amine Traditional Name: (4-butylphenyl)-[6-(methylthio)-7H-purin-2-yl]amine Formula: C16H19N5S MolecularWeight: 313.42056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)SC)NC=N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)SC)NC=N3

InChI

InChI=1S/C16H19N5S/c1-3-4-5-11-6-8-12(9-7-11)19-16-20-14-13(17-10-18-14)15(21-16)22-2/h6-10H,3-5H2,1-2H3,(H2,17,18,19,20,21)