methyl (2S)-3-methyl-2-[[2-[[(1-methylpyrrol-2-yl)carbonylamino]methyl]quinazolin-4-yl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[2-[[(1-methylpyrrol-2-yl)carbonylamino]methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]quinazolin-4-yl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-[[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]quinazolin-4-yl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-[[(1-methylpyrrole-2-carbonyl)amino]methyl]quinazolin-4-yl]amino]butyric acid methyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3=CC=CN3C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3=CC=CN3C

InChI

InChI=1S/C21H25N5O3/c1-13(2)18(21(28)29-4)25-19-14-8-5-6-9-15(14)23-17(24-19)12-22-20(27)16-10-7-11-26(16)3/h5-11,13,18H,12H2,1-4H3,(H,22,27)(H,23,24,25)/t18-/m0/s1