N-[[4-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]quinazolin-2-yl]methyl]-2-methoxy-benzamide

Systemtic Name: N-[[4-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]quinazolin-2-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[4-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]quinazolin-2-yl]methyl]-2-methoxy-benzamide CAS Name: N-[[4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-quinazolinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]quinazolin-2-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[4-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]quinazolin-2-yl]methyl]-2-methoxy-benzamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)[C@@H](C(=O)N)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H25N5O3/c1-13(2)19(20(23)28)27-21-14-8-4-6-10-16(14)25-18(26-21)12-24-22(29)15-9-5-7-11-17(15)30-3/h4-11,13,19H,12H2,1-3H3,(H2,23,28)(H,24,29)(H,25,26,27)/t19-/m0/s1