2-(4-ethanoylpiperazin-1-yl)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]-1-methyl-5,6-bis(oxidanylidene)-4H-pyrimidine-4-carboxamide

Systemtic Name: 2-(4-ethanoylpiperazin-1-yl)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]-1-methyl-5,6-bis(oxidanylidene)-4H-pyrimidine-4-carboxamide Openeye Name: 2-(4-acetylpiperazin-1-yl)-N-[(4-fluoro-3-methyl-phenyl)methyl]-1-methyl-5,6-dioxo-4H-pyrimidine-4-carboxamide CAS Name: 2-(4-acetyl-1-piperazinyl)-N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-5,6-dioxo-4H-pyrimidine-4-carboxamide IUPAC Name: 2-(4-acetylpiperazin-1-yl)-N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-5,6-dioxo-4H-pyrimidine-4-carboxamide Traditional Name: 2-(4-acetylpiperazino)-N-(4-fluoro-3-methyl-benzyl)-5,6-diketo-1-methyl-4H-pyrimidine-4-carboxamide Formula: C20H24FN5O4 MolecularWeight: 417.434063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2C(=O)C(=O)N(C(=N2)N3CCN(CC3)C(=O)C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2C(=O)C(=O)N(C(=N2)N3CCN(CC3)C(=O)C)C)F

InChI

InChI=1S/C20H24FN5O4/c1-12-10-14(4-5-15(12)21)11-22-18(29)16-17(28)19(30)24(3)20(23-16)26-8-6-25(7-9-26)13(2)27/h4-5,10,16H,6-9,11H2,1-3H3,(H,22,29)