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

Systemtic Name: N-[[4-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]quinazolin-2-yl]methyl]-3-chloranyl-benzamide Openeye Name: N-[[4-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]quinazolin-2-yl]methyl]-3-chloro-benzamide CAS Name: N-[[4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-quinazolinyl]methyl]-3-chlorobenzamide IUPAC Name: N-[[4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]quinazolin-2-yl]methyl]-3-chlorobenzamide Traditional Name: N-[[4-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]quinazolin-2-yl]methyl]-3-chloro-benzamide Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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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=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O2/c1-12(2)18(19(23)28)27-20-15-8-3-4-9-16(15)25-17(26-20)11-24-21(29)13-6-5-7-14(22)10-13/h3-10,12,18H,11H2,1-2H3,(H2,23,28)(H,24,29)(H,25,26,27)/t18-/m0/s1