N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]piperidine-4-carboxamide

Systemtic Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]piperidine-4-carboxamide Openeye Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]piperidine-4-carboxamide CAS Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)-4-pyrimidinyl]phenyl]-4-piperidinecarboxamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]piperidine-4-carboxamide Traditional Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]isonipecotamide Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CNCCC1C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C23H22N6OS/c30-22(16-7-10-24-11-8-16)27-17-3-1-15(2-4-17)19-9-12-25-23(29-19)28-18-5-6-20-21(13-18)31-14-26-20/h1-6,9,12-14,16,24H,7-8,10-11H2,(H,27,30)(H,25,28,29)