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

Systemtic Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylethanoic acid Openeye Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylacetic acid CAS Name: 2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]thio]acetic acid IUPAC Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]thio]acetic acid Formula: C19H20N6O2S MolecularWeight: 396.4661

Click to see the large picture

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)