2-[3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-hexyl-ethanamide

Systemtic Name: 2-[3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-hexyl-ethanamide Openeye Name: 2-[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-hexyl-acetamide CAS Name: 2-[[3-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-hexylacetamide IUPAC Name: 2-[3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-hexylacetamide Traditional Name: 2-[[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]-N-hexyl-acetamide Formula: C23H30ClN5O2S MolecularWeight: 476.0346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN3C=C(C(=N3)C)Cl

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN3C=C(C(=N3)C)Cl

InChI

InChI=1S/C23H30ClN5O2S/c1-3-4-5-8-12-25-21(30)16-32-23-26-20-11-7-6-10-18(20)22(31)29(23)14-9-13-28-15-19(24)17(2)27-28/h6-7,10-11,15H,3-5,8-9,12-14,16H2,1-2H3,(H,25,30)