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

Systemtic Name: 2-[3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[3-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-propylacetamide IUPAC Name: 2-[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]-N-propyl-acetamide Formula: C21H26ClN5O2S MolecularWeight: 447.98144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O2S/c1-4-10-23-18(28)13-30-21-24-17-9-6-5-8-16(17)20(29)26(21)11-7-12-27-15(3)19(22)14(2)25-27/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,23,28)