tert-butyl (3S)-4-[4-(3-fluoranylpyridin-4-yl)-1-methyl-6-oxidanylidene-pyrimidin-2-yl]-3-methyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl (3S)-4-[4-(3-fluoranylpyridin-4-yl)-1-methyl-6-oxidanylidene-pyrimidin-2-yl]-3-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl (3S)-4-[4-(3-fluoro-4-pyridyl)-1-methyl-6-oxo-pyrimidin-2-yl]-3-methyl-piperazine-1-carboxylate CAS Name: (3S)-4-[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxo-2-pyrimidinyl]-3-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[4-(3-fluoropyridin-4-yl)-1-methyl-6-oxopyrimidin-2-yl]-3-methylpiperazine-1-carboxylate Traditional Name: (3S)-4-[4-(3-fluoro-4-pyridyl)-6-keto-1-methyl-pyrimidin-2-yl]-3-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26FN5O3 MolecularWeight: 403.450543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC(=CC(=O)N2C)C3=C(C=NC=C3)F)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1CN(CCN1C2=NC(=CC(=O)N2C)C3=C(C=NC=C3)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H26FN5O3/c1-13-12-25(19(28)29-20(2,3)4)8-9-26(13)18-23-16(10-17(27)24(18)5)14-6-7-22-11-15(14)21/h6-7,10-11,13H,8-9,12H2,1-5H3/t13-/m0/s1