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

Systemtic Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylbenzoic acid Openeye Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylbenzoic acid CAS Name: 2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]thio]benzoic acid IUPAC Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]sulfanylbenzoic acid Traditional Name: 2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]thio]benzoic acid Formula: C24H22N6O2S MolecularWeight: 458.53548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SC4=CC=CC=C4C(=O)O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)SC4=CC=CC=C4C(=O)O)C5=NC=CC=N5

InChI

InChI=1S/C24H22N6O2S/c31-23(32)18-7-2-4-9-20(18)33-22-17-6-1-3-8-19(17)27-21(28-22)16-29-12-14-30(15-13-29)24-25-10-5-11-26-24/h1-11H,12-16H2,(H,31,32)