9-pentan-2-yl-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine

Systemtic Name: 9-pentan-2-yl-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine Openeye Name: 9-(1-methylbutyl)-6-(2-pyridylmethylsulfanyl)purin-2-amine CAS Name: 9-pentan-2-yl-6-(2-pyridinylmethylthio)-2-purinamine IUPAC Name: 9-pentan-2-yl-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine Traditional Name: [9-(1-methylbutyl)-6-(2-pyridylmethylthio)purin-2-yl]amine Formula: C16H20N6S MolecularWeight: 328.4352

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C=NC2=C1N=C(N=C2SCC3=CC=CC=N3)N

Isomeric SMILES

CCCC(C)N1C=NC2=C1N=C(N=C2SCC3=CC=CC=N3)N

InChI

InChI=1S/C16H20N6S/c1-3-6-11(2)22-10-19-13-14(22)20-16(17)21-15(13)23-9-12-7-4-5-8-18-12/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H2,17,20,21)