N-(6-chloranylpyridazin-3-yl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide

Systemtic Name: N-(6-chloranylpyridazin-3-yl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-(6-chloropyridazin-3-yl)-4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-(6-chloro-3-pyridazinyl)-4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-(6-chloropyridazin-3-yl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-(6-chloropyridazin-3-yl)-4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C25H31ClN8O2S MolecularWeight: 543.08404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=NN=C(C=C4)Cl)OCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=NN=C(C=C4)Cl)OCCN5CCCCC5

InChI

InChI=1S/C25H31ClN8O2S/c1-35-20-15-18-19(16-21(20)36-14-13-32-7-3-2-4-8-32)27-17-28-24(18)33-9-11-34(12-10-33)25(37)29-23-6-5-22(26)30-31-23/h5-6,15-17H,2-4,7-14H2,1H3,(H,29,31,37)