methyl (2S)-3-methyl-2-[[2-[(pyridin-2-ylcarbonylamino)methyl]quinazolin-4-yl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[2-[(pyridin-2-ylcarbonylamino)methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[(pyridine-2-carbonylamino)methyl]quinazolin-4-yl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-[[[oxo(2-pyridinyl)methyl]amino]methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-[(pyridine-2-carbonylamino)methyl]quinazolin-4-yl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(picolinamidomethyl)quinazolin-4-yl]amino]butyric acid methyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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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=CC=N3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3=CC=CC=N3

InChI

InChI=1S/C21H23N5O3/c1-13(2)18(21(28)29-3)26-19-14-8-4-5-9-15(14)24-17(25-19)12-23-20(27)16-10-6-7-11-22-16/h4-11,13,18H,12H2,1-3H3,(H,23,27)(H,24,25,26)/t18-/m0/s1