(2S)-3-methyl-2-[[2-[(2-phenoxypropanoylamino)methyl]quinazolin-4-yl]amino]butanamide

Systemtic Name: (2S)-3-methyl-2-[[2-[(2-phenoxypropanoylamino)methyl]quinazolin-4-yl]amino]butanamide Openeye Name: (2S)-3-methyl-2-[[2-[(2-phenoxypropanoylamino)methyl]quinazolin-4-yl]amino]butanamide CAS Name: (2S)-3-methyl-2-[[2-[[(1-oxo-2-phenoxypropyl)amino]methyl]-4-quinazolinyl]amino]butanamide IUPAC Name: (2S)-3-methyl-2-[[2-[(2-phenoxypropanoylamino)methyl]quinazolin-4-yl]amino]butanamide Traditional Name: (2S)-3-methyl-2-[[2-[(2-phenoxypropanoylamino)methyl]quinazolin-4-yl]amino]butyramide Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C(C)OC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C(C)OC3=CC=CC=C3

InChI

InChI=1S/C23H27N5O3/c1-14(2)20(21(24)29)28-22-17-11-7-8-12-18(17)26-19(27-22)13-25-23(30)15(3)31-16-9-5-4-6-10-16/h4-12,14-15,20H,13H2,1-3H3,(H2,24,29)(H,25,30)(H,26,27,28)/t15?,20-/m0/s1