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

Systemtic Name: methyl (2S)-3-methyl-2-[[2-[(2-methylsulfanylethanoylamino)methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[[(2-methylsulfanylacetyl)amino]methyl]quinazolin-4-yl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-[[[2-(methylthio)-1-oxoethyl]amino]methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-[[(2-methylsulfanylacetyl)amino]methyl]quinazolin-4-yl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-[[[2-(methylthio)acetyl]amino]methyl]quinazolin-4-yl]amino]butyric acid methyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3S/c1-11(2)16(18(24)25-3)22-17-12-7-5-6-8-13(12)20-14(21-17)9-19-15(23)10-26-4/h5-8,11,16H,9-10H2,1-4H3,(H,19,23)(H,20,21,22)/t16-/m0/s1