(2S)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanoate

Systemtic Name: (2S)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanoate Openeye Name: (2S)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanylpropanoate CAS Name: (2S)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]propanoate IUPAC Name: (2S)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanoate Traditional Name: (2S)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]propionate Formula: C16H18N3O3S- MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC(=NC2=CC=CC=C21)CN3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NC(=NC2=CC=CC=C21)CN3CCOCC3

InChI

InChI=1S/C16H19N3O3S/c1-11(16(20)21)23-15-12-4-2-3-5-13(12)17-14(18-15)10-19-6-8-22-9-7-19/h2-5,11H,6-10H2,1H3,(H,20,21)/p-1/t11-/m0/s1