[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazol-6-yl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5)C

InChI

InChI=1S/C22H22N6OS/c1-15-4-5-16(2)28(15)22-25-18-7-6-17(14-19(18)30-22)20(29)26-10-12-27(13-11-26)21-23-8-3-9-24-21/h3-9,14H,10-13H2,1-2H3