2-[3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-hexyl-ethanamide

Systemtic Name: 2-[3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-hexyl-ethanamide Openeye Name: 2-[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-hexyl-acetamide CAS Name: 2-[[3-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-hexylacetamide IUPAC Name: 2-[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-hexylacetamide Traditional Name: 2-[[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]-N-hexyl-acetamide Formula: C24H32ClN5O2S MolecularWeight: 490.06118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32ClN5O2S/c1-4-5-6-9-13-26-21(31)16-33-24-27-20-12-8-7-11-19(20)23(32)29(24)14-10-15-30-18(3)22(25)17(2)28-30/h7-8,11-12H,4-6,9-10,13-16H2,1-3H3,(H,26,31)