2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]ethanone Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)COCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)COCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H27N5O2S/c1-15(2)22-23-16(3)12-19(25-22)26-8-10-27(11-9-26)21(28)14-29-13-20-24-17-6-4-5-7-18(17)30-20/h4-7,12,15H,8-11,13-14H2,1-3H3