4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]sulfonylpiazthiole Formula: C18H22N6O2S2 MolecularWeight: 418.53628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H22N6O2S2/c1-12(2)18-19-13(3)11-16(20-18)23-7-9-24(10-8-23)28(25,26)15-6-4-5-14-17(15)22-27-21-14/h4-6,11-12H,7-10H2,1-3H3