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

Systemtic Name: 2-[3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopropyl-acetamide CAS Name: 2-[[3-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]-N-cyclopropyl-acetamide Formula: C21H24ClN5O2S MolecularWeight: 445.96556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CC4)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CC4)C)Cl

InChI

InChI=1S/C21H24ClN5O2S/c1-13-19(22)14(2)27(25-13)11-5-10-26-20(29)16-6-3-4-7-17(16)24-21(26)30-12-18(28)23-15-8-9-15/h3-4,6-7,15H,5,8-12H2,1-2H3,(H,23,28)