N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-N-piazthiol-4-yl-acetamide Formula: C20H25N7OS MolecularWeight: 411.5238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H25N7OS/c1-13(2)20-21-14(3)11-17(23-20)27-9-7-26(8-10-27)12-18(28)22-15-5-4-6-16-19(15)25-29-24-16/h4-6,11,13H,7-10,12H2,1-3H3,(H,22,28)