(2S)-2-azanyl-3-[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]sulfanyl-propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]sulfanyl-propanoic acid Openeye Name: (2S)-2-amino-3-[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]sulfanyl-propanoic acid CAS Name: (2S)-2-amino-3-[[2-(1-pyrrolidinylmethyl)-4-quinazolinyl]thio]propanoic acid IUPAC Name: (2S)-2-amino-3-[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]sulfanylpropanoic acid Traditional Name: (2S)-2-amino-3-[[2-(pyrrolidinomethyl)quinazolin-4-yl]thio]propionic acid Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NC3=CC=CC=C3C(=N2)SCC(C(=O)O)N

Isomeric SMILES

C1CCN(C1)CC2=NC3=CC=CC=C3C(=N2)SC[C@H](C(=O)O)N

InChI

InChI=1S/C16H20N4O2S/c17-12(16(21)22)10-23-15-11-5-1-2-6-13(11)18-14(19-15)9-20-7-3-4-8-20/h1-2,5-6,12H,3-4,7-10,17H2,(H,21,22)/t12-/m1/s1