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

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-[4-(benzenesulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-(4-besylpiperazino)ethanone Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C17H21N5O3S2/c1-13-11-15(18)20-17(19-13)26-12-16(23)21-7-9-22(10-8-21)27(24,25)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,18,19,20)