5-chloranyl-N-(phenylmethyl)-2-propan-2-ylsulfanyl-N-pyridin-2-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(phenylmethyl)-2-propan-2-ylsulfanyl-N-pyridin-2-yl-pyrimidine-4-carboxamide Openeye Name: N-benzyl-5-chloro-2-isopropylsulfanyl-N-(2-pyridyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(phenylmethyl)-2-(propan-2-ylthio)-N-(2-pyridinyl)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-chloro-2-propan-2-ylsulfanyl-N-pyridin-2-ylpyrimidine-4-carboxamide Traditional Name: N-benzyl-5-chloro-2-(isopropylthio)-N-(2-pyridyl)pyrimidine-4-carboxamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC=C(C(=N1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3)Cl

Isomeric SMILES

CC(C)SC1=NC=C(C(=N1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3)Cl

InChI

InChI=1S/C20H19ClN4OS/c1-14(2)27-20-23-12-16(21)18(24-20)19(26)25(17-10-6-7-11-22-17)13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3