6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-pyrazol-1-ylpropyl)hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-pyrazol-1-ylpropyl)hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(3-pyrazol-1-ylpropyl)hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(1-pyrazolyl)propyl]hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-pyrazol-1-ylpropyl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3-pyrazol-1-ylpropyl)hexanamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NCCCN3C=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NCCCN3C=CC=N3

InChI

InChI=1S/C20H25N5O2S/c26-18(21-11-6-13-24-14-7-12-22-24)10-2-1-5-15-25-19(27)16-8-3-4-9-17(16)23-20(25)28/h3-4,7-9,12,14H,1-2,5-6,10-11,13,15H2,(H,21,26)(H,23,28)