N-[2-(phenylmethyl)-1,3-benzothiazol-6-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine

Systemtic Name: N-[2-(phenylmethyl)-1,3-benzothiazol-6-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine Openeye Name: N-(2-benzyl-1,3-benzothiazol-6-yl)-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine CAS Name: N-[2-(phenylmethyl)-1,3-benzothiazol-6-yl]-6-[2-[(2R)-2-pyrrolidinyl]ethynyl]-4-thieno[3,2-d]pyrimidinamine IUPAC Name: N-(2-benzyl-1,3-benzothiazol-6-yl)-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine Traditional Name: (2-benzyl-1,3-benzothiazol-6-yl)-[6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-yl]amine Formula: C26H21N5S2 MolecularWeight: 467.60844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C#CC2=CC3=C(S2)C(=NC=N3)NC4=CC5=C(C=C4)N=C(S5)CC6=CC=CC=C6

Isomeric SMILES

C1C[C@@H](NC1)C#CC2=CC3=C(S2)C(=NC=N3)NC4=CC5=C(C=C4)N=C(S5)CC6=CC=CC=C6

InChI

InChI=1S/C26H21N5S2/c1-2-5-17(6-3-1)13-24-31-21-11-9-19(14-23(21)33-24)30-26-25-22(28-16-29-26)15-20(32-25)10-8-18-7-4-12-27-18/h1-3,5-6,9,11,14-16,18,27H,4,7,12-13H2,(H,28,29,30)/t18-/m1/s1