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

Systemtic Name: N-[(6-azanylpyridin-3-yl)methyl]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-[(6-amino-3-pyridyl)methyl]-4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-[(6-amino-3-pyridinyl)methyl]-4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-[(6-aminopyridin-3-yl)methyl]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-[(6-amino-3-pyridyl)methyl]-4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C27H36N8O2S MolecularWeight: 536.69214

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=CN=C(C=C4)N)OCCN5CCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C27H36N8O2S/c1-36-23-15-21-22(16-24(23)37-14-13-33-7-3-2-4-8-33)31-19-32-26(21)34-9-11-35(12-10-34)27(38)30-18-20-5-6-25(28)29-17-20/h5-6,15-17,19H,2-4,7-14,18H2,1H3,(H2,28,29)(H,30,38)