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

Systemtic Name: 2-[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]-4-(4-morpholinoanilino)pyrimidine-5-carboxamide CAS Name: 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-[4-(4-morpholinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(4-morpholin-4-ylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]-4-(4-morpholinoanilino)pyrimidine-5-carboxamide Formula: C21H29N7O3 MolecularWeight: 427.50006

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O3/c1-13(2)11-17(19(23)30)26-21-24-12-16(18(22)29)20(27-21)25-14-3-5-15(6-4-14)28-7-9-31-10-8-28/h3-6,12-13,17H,7-11H2,1-2H3,(H2,22,29)(H2,23,30)(H2,24,25,26,27)/t17-/m1/s1