N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[4-(4-mesylpiperazino)phenyl]-2-(7H-purin-6-ylthio)acetamide Formula: C18H21N7O3S2 MolecularWeight: 447.53444

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H21N7O3S2/c1-30(27,28)25-8-6-24(7-9-25)14-4-2-13(3-5-14)23-15(26)10-29-18-16-17(20-11-19-16)21-12-22-18/h2-5,11-12H,6-10H2,1H3,(H,23,26)(H,19,20,21,22)