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

Systemtic Name: N-(2-cyanopyridin-4-yl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-(2-cyano-4-pyridyl)-4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-(2-cyano-4-pyridinyl)-4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-cyanopyridin-4-yl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-(2-cyano-4-pyridyl)-4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C27H32N8O2S MolecularWeight: 532.66038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC(=NC=C4)C#N)OCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC(=NC=C4)C#N)OCCN5CCCCC5

InChI

InChI=1S/C27H32N8O2S/c1-36-24-16-22-23(17-25(24)37-14-13-33-7-3-2-4-8-33)30-19-31-26(22)34-9-11-35(12-10-34)27(38)32-20-5-6-29-21(15-20)18-28/h5-6,15-17,19H,2-4,7-14H2,1H3,(H,29,32,38)