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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O2S/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/h4-6,8-9H,1,7,10-13H2,2-3H3,(H,23,28)