2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]ethanamide

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide CAS Name: 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]acetamide IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide Formula: C21H24ClN5O2S MolecularWeight: 445.96556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)C

InChI

InChI=1S/C21H24ClN5O2S/c1-4-9-26-20(29)17-12-16(22)6-7-18(17)24-21(26)30-13-19(28)23-8-5-10-27-15(3)11-14(2)25-27/h4,6-7,11-12H,1,5,8-10,13H2,2-3H3,(H,23,28)