6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-(pyrazol-1-ylmethyl)benzyl]hexanamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CN4C=CC=N4

InChI

InChI=1S/C25H27N5O2S/c31-23(26-17-19-9-3-4-10-20(19)18-29-15-8-14-27-29)13-2-1-7-16-30-24(32)21-11-5-6-12-22(21)28-25(30)33/h3-6,8-12,14-15H,1-2,7,13,16-18H2,(H,26,31)(H,28,33)