2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylethanoate

Systemtic Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylethanoate Openeye Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylacetate CAS Name: 2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]thio]acetate IUPAC Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylacetate Traditional Name: 2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]thio]acetate Formula: C19H19N6O2S- MolecularWeight: 395.45816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C19H20N6O2S/c26-17(27)13-28-18-14-4-1-2-5-15(14)22-16(23-18)12-24-8-10-25(11-9-24)19-20-6-3-7-21-19/h1-7H,8-13H2,(H,26,27)/p-1