2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C25H26ClN5O2S MolecularWeight: 496.02424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)C4CCCC4)C

InChI

InChI=1S/C25H26ClN5O2S/c1-4-11-30-24(33)19-10-9-17(26)12-21(19)28-25(30)34-14-22(32)29-23-20(13-27)15(2)16(3)31(23)18-7-5-6-8-18/h4,9-10,12,18H,1,5-8,11,14H2,2-3H3,(H,29,32)