4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-[(5-methyl-2-pyrazinyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carbothioamide Formula: C28H38N8O2S MolecularWeight: 550.71872

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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)OCCCN5CCCCC5

Isomeric SMILES

CC1=CN=C(C=N1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5

InChI

InChI=1S/C28H38N8O2S/c1-21-17-30-22(18-29-21)19-31-28(39)36-12-10-35(11-13-36)27-23-15-25(37-2)26(16-24(23)32-20-33-27)38-14-6-9-34-7-4-3-5-8-34/h15-18,20H,3-14,19H2,1-2H3,(H,31,39)