(2S)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylpropanoic acid

Systemtic Name: (2S)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylpropanoic acid Openeye Name: (2S)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylpropanoic acid CAS Name: (2S)-2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]thio]propanoic acid IUPAC Name: (2S)-2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylpropanoic acid Traditional Name: (2S)-2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]thio]propionic acid Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N6O2S/c1-14(19(27)28)29-18-15-5-2-3-6-16(15)23-17(24-18)13-25-9-11-26(12-10-25)20-21-7-4-8-22-20/h2-8,14H,9-13H2,1H3,(H,27,28)/t14-/m0/s1