4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-N-[(5-methyl-2-pyrazinyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carbothioamide Formula: C27H36N8O2S MolecularWeight: 536.69214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCN5CCCCC5

Isomeric SMILES

CC1=CN=C(C=N1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCN5CCCCC5

InChI

InChI=1S/C27H36N8O2S/c1-20-16-29-21(17-28-20)18-30-27(38)35-10-8-34(9-11-35)26-22-14-24(36-2)25(15-23(22)31-19-32-26)37-13-12-33-6-4-3-5-7-33/h14-17,19H,3-13,18H2,1-2H3,(H,30,38)