4-(2,6-dimethoxypyrimidin-4-yl)-N-(3-fluoranyl-4-methyl-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2,6-dimethoxypyrimidin-4-yl)-N-(3-fluoranyl-4-methyl-phenyl)piperazine-1-carboxamide Openeye Name: 4-(2,6-dimethoxypyrimidin-4-yl)-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carboxamide CAS Name: 4-(2,6-dimethoxy-4-pyrimidinyl)-N-(3-fluoro-4-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(2,6-dimethoxypyrimidin-4-yl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-(2,6-dimethoxypyrimidin-4-yl)-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carboxamide Formula: C18H22FN5O3 MolecularWeight: 375.397383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=CC(=NC(=N3)OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=CC(=NC(=N3)OC)OC)F

InChI

InChI=1S/C18H22FN5O3/c1-12-4-5-13(10-14(12)19)20-18(25)24-8-6-23(7-9-24)15-11-16(26-2)22-17(21-15)27-3/h4-5,10-11H,6-9H2,1-3H3,(H,20,25)