1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)-2-pyrimidinyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[4-(1,3-benzothiazol-6-ylamino)pyrimidin-2-yl]piperazino]-2-phenoxy-ethanone Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=N2)NC3=CC4=C(C=C3)N=CS4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C23H22N6O2S/c30-22(15-31-18-4-2-1-3-5-18)28-10-12-29(13-11-28)23-24-9-8-21(27-23)26-17-6-7-19-20(14-17)32-16-25-19/h1-9,14,16H,10-13,15H2,(H,24,26,27)