5-[[4-[2-(4-tert-butylphenyl)-1,3-benzothiazol-7-yl]piperazin-1-yl]methyl]-1-ethyl-pyrimidine-2,4-dione

Systemtic Name: 5-[[4-[2-(4-tert-butylphenyl)-1,3-benzothiazol-7-yl]piperazin-1-yl]methyl]-1-ethyl-pyrimidine-2,4-dione Openeye Name: 5-[[4-[2-(4-tert-butylphenyl)-1,3-benzothiazol-7-yl]piperazin-1-yl]methyl]-1-ethyl-pyrimidine-2,4-dione CAS Name: 5-[[4-[2-(4-tert-butylphenyl)-1,3-benzothiazol-7-yl]-1-piperazinyl]methyl]-1-ethylpyrimidine-2,4-dione IUPAC Name: 5-[[4-[2-(4-tert-butylphenyl)-1,3-benzothiazol-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione Traditional Name: 5-[[4-[2-(4-tert-butylphenyl)-1,3-benzothiazol-7-yl]piperazino]methyl]-1-ethyl-pyrimidine-2,4-quinone Formula: C28H33N5O2S MolecularWeight: 503.65892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)NC1=O)CN2CCN(CC2)C3=CC=CC4=C3SC(=N4)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCN1C=C(C(=O)NC1=O)CN2CCN(CC2)C3=CC=CC4=C3SC(=N4)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C28H33N5O2S/c1-5-32-18-20(25(34)30-27(32)35)17-31-13-15-33(16-14-31)23-8-6-7-22-24(23)36-26(29-22)19-9-11-21(12-10-19)28(2,3)4/h6-12,18H,5,13-17H2,1-4H3,(H,30,34,35)