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

Systemtic Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(pyrazin-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]-N-(pyrazin-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-N-(2-pyrazinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(pyrazin-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]-N-(pyrazin-2-ylmethyl)piperazine-1-carbothioamide Formula: C26H34N8O2S MolecularWeight: 522.66556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=NC=CN=C4)OCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=NC=CN=C4)OCCN5CCCCC5

InChI

InChI=1S/C26H34N8O2S/c1-35-23-15-21-22(16-24(23)36-14-13-32-7-3-2-4-8-32)30-19-31-25(21)33-9-11-34(12-10-33)26(37)29-18-20-17-27-5-6-28-20/h5-6,15-17,19H,2-4,7-14,18H2,1H3,(H,29,37)