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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone Formula: C16H20N6O3S2 MolecularWeight: 408.4984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC(=CC(=N2)N)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC(=CC(=N2)N)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H20N6O3S2/c17-13-10-14(18)20-16(19-13)26-11-15(23)21-6-8-22(9-7-21)27(24,25)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H4,17,18,19,20)