5-chloranyl-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(6-chlorothiochroman-4-yl)-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-(1-pyrrolidinyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(6-chlorothiochroman-4-yl)-2-pyrrolidino-pyrimidine-4-carboxamide Formula: C18H18Cl2N4OS MolecularWeight: 409.33272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C(=N2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)C2=NC=C(C(=N2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H18Cl2N4OS/c19-11-3-4-15-12(9-11)14(5-8-26-15)22-17(25)16-13(20)10-21-18(23-16)24-6-1-2-7-24/h3-4,9-10,14H,1-2,5-8H2,(H,22,25)