2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(4-mesylpiperazino)ethanone Formula: C11H18N6O3S2 MolecularWeight: 346.42902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C11H18N6O3S2/c1-22(19,20)17-4-2-16(3-5-17)10(18)7-21-11-14-8(12)6-9(13)15-11/h6H,2-5,7H2,1H3,(H4,12,13,14,15)