2-[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[(3-fluoranyl-4-morpholin-4-yl-phenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[(3-fluoranyl-4-morpholin-4-yl-phenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]-4-(3-fluoro-4-morpholino-anilino)pyrimidine-5-carboxamide CAS Name: 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-[3-fluoro-4-(4-morpholinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3-fluoro-4-morpholin-4-ylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]-4-(3-fluoro-4-morpholino-anilino)pyrimidine-5-carboxamide Formula: C21H28FN7O3 MolecularWeight: 445.490523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC1=NC=C(C(=N1)NC2=CC(=C(C=C2)N3CCOCC3)F)C(=O)N

Isomeric SMILES

CC(C)C[C@H](C(=O)N)NC1=NC=C(C(=N1)NC2=CC(=C(C=C2)N3CCOCC3)F)C(=O)N

InChI

InChI=1S/C21H28FN7O3/c1-12(2)9-16(19(24)31)27-21-25-11-14(18(23)30)20(28-21)26-13-3-4-17(15(22)10-13)29-5-7-32-8-6-29/h3-4,10-12,16H,5-9H2,1-2H3,(H2,23,30)(H2,24,31)(H2,25,26,27,28)/t16-/m1/s1