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

Systemtic Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide Openeye Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide CAS Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)-4-pyrimidinyl]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide Traditional Name: N-[4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide Formula: C22H20N6OS MolecularWeight: 416.4988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CC(NC1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C22H20N6OS/c29-21(19-2-1-10-23-19)26-15-5-3-14(4-6-15)17-9-11-24-22(28-17)27-16-7-8-18-20(12-16)30-13-25-18/h3-9,11-13,19,23H,1-2,10H2,(H,26,29)(H,24,27,28)