2-ethyl-9-(4-piperidin-1-ylsulfonylphenyl)purin-6-amine

Systemtic Name: 2-ethyl-9-(4-piperidin-1-ylsulfonylphenyl)purin-6-amine Openeye Name: 2-ethyl-9-[4-(1-piperidylsulfonyl)phenyl]purin-6-amine CAS Name: 2-ethyl-9-[4-(1-piperidinylsulfonyl)phenyl]-6-purinamine IUPAC Name: 2-ethyl-9-(4-piperidin-1-ylsulfonylphenyl)purin-6-amine Traditional Name: [2-ethyl-9-(4-piperidinosulfonylphenyl)purin-6-yl]amine Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)N)N=CN2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCC1=NC2=C(C(=N1)N)N=CN2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C18H22N6O2S/c1-2-15-21-17(19)16-18(22-15)24(12-20-16)13-6-8-14(9-7-13)27(25,26)23-10-4-3-5-11-23/h6-9,12H,2-5,10-11H2,1H3,(H2,19,21,22)