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

Systemtic Name: (2S)-3-methyl-2-[[2-[[(2-methyl-3-phenyl-propanoyl)amino]methyl]quinazolin-4-yl]amino]butanamide Openeye Name: (2S)-3-methyl-2-[[2-[[(2-methyl-3-phenyl-propanoyl)amino]methyl]quinazolin-4-yl]amino]butanamide CAS Name: (2S)-3-methyl-2-[[2-[[(2-methyl-1-oxo-3-phenylpropyl)amino]methyl]-4-quinazolinyl]amino]butanamide IUPAC Name: (2S)-3-methyl-2-[[2-[[(2-methyl-3-phenylpropanoyl)amino]methyl]quinazolin-4-yl]amino]butanamide Traditional Name: (2S)-3-methyl-2-[[2-[[(2-methyl-3-phenyl-propanoyl)amino]methyl]quinazolin-4-yl]amino]butyramide Formula: C24H29N5O2 MolecularWeight: 419.51936

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C(C)CC3=CC=CC=C3

InChI

InChI=1S/C24H29N5O2/c1-15(2)21(22(25)30)29-23-18-11-7-8-12-19(18)27-20(28-23)14-26-24(31)16(3)13-17-9-5-4-6-10-17/h4-12,15-16,21H,13-14H2,1-3H3,(H2,25,30)(H,26,31)(H,27,28,29)/t16?,21-/m0/s1