2-[3-[2-(4-chloranylpyrazol-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-ethanamide

Systemtic Name: 2-[3-[2-(4-chloranylpyrazol-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[3-[2-(4-chloro-1-pyrazolyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-propylacetamide IUPAC Name: 2-[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]-N-propyl-acetamide Formula: C18H20ClN5O2S MolecularWeight: 405.9017

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCN3C=C(C=N3)Cl

Isomeric SMILES

CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCN3C=C(C=N3)Cl

InChI

InChI=1S/C18H20ClN5O2S/c1-2-7-20-16(25)12-27-18-22-15-6-4-3-5-14(15)17(26)24(18)9-8-23-11-13(19)10-21-23/h3-6,10-11H,2,7-9,12H2,1H3,(H,20,25)