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

Systemtic Name: 1-[6-(1,3-benzothiazol-6-ylamino)-2-(cyclobutylamino)pyrimidin-4-yl]piperidine-4-carboxamide Openeye Name: 1-[6-(1,3-benzothiazol-6-ylamino)-2-(cyclobutylamino)pyrimidin-4-yl]piperidine-4-carboxamide CAS Name: 1-[6-(1,3-benzothiazol-6-ylamino)-2-(cyclobutylamino)-4-pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-(1,3-benzothiazol-6-ylamino)-2-(cyclobutylamino)pyrimidin-4-yl]piperidine-4-carboxamide Traditional Name: 1-[6-(1,3-benzothiazol-6-ylamino)-2-(cyclobutylamino)pyrimidin-4-yl]isonipecotamide Formula: C21H25N7OS MolecularWeight: 423.5345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=CC(=N2)NC3=CC4=C(C=C3)N=CS4)N5CCC(CC5)C(=O)N

Isomeric SMILES

C1CC(C1)NC2=NC(=CC(=N2)NC3=CC4=C(C=C3)N=CS4)N5CCC(CC5)C(=O)N

InChI

InChI=1S/C21H25N7OS/c22-20(29)13-6-8-28(9-7-13)19-11-18(26-21(27-19)25-14-2-1-3-14)24-15-4-5-16-17(10-15)30-12-23-16/h4-5,10-14H,1-3,6-9H2,(H2,22,29)(H2,24,25,26,27)