N-[4-chloranyl-6-[[(2S)-4-oxidanylideneazetidin-2-yl]methylamino]-5-prop-2-enyl-pyrimidin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[4-chloranyl-6-[[(2S)-4-oxidanylideneazetidin-2-yl]methylamino]-5-prop-2-enyl-pyrimidin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[5-allyl-4-chloro-6-[[(2S)-4-oxoazetidin-2-yl]methylamino]pyrimidin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[4-chloro-6-[[(2S)-4-oxo-2-azetidinyl]methylamino]-5-prop-2-enyl-2-pyrimidinyl]-2,2-dimethylpropanamide IUPAC Name: N-[4-chloro-6-[[(2S)-4-oxoazetidin-2-yl]methylamino]-5-prop-2-enylpyrimidin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[5-allyl-4-chloro-6-[[(2S)-4-ketoazetidin-2-yl]methylamino]pyrimidin-2-yl]-2,2-dimethyl-propionamide Formula: C16H22ClN5O2 MolecularWeight: 351.83118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=C(C(=N1)Cl)CC=C)NCC2CC(=O)N2

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=C(C(=N1)Cl)CC=C)NC[C@@H]2CC(=O)N2

InChI

InChI=1S/C16H22ClN5O2/c1-5-6-10-12(17)20-15(22-14(24)16(2,3)4)21-13(10)18-8-9-7-11(23)19-9/h5,9H,1,6-8H2,2-4H3,(H,19,23)(H2,18,20,21,22,24)/t9-/m0/s1