2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]butan-1-one Formula: C26H35N5OS MolecularWeight: 465.654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N3CCN(CC3)C4=NC(=NC(=C4)C)C(C)C

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N3CCN(CC3)C4=NC(=NC(=C4)C)C(C)C

InChI

InChI=1S/C26H35N5OS/c1-6-26(7-2,17-23-28-20-10-8-9-11-21(20)33-23)25(32)31-14-12-30(13-15-31)22-16-19(5)27-24(29-22)18(3)4/h8-11,16,18H,6-7,12-15,17H2,1-5H3