2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(4,6-dimethoxypyrimidin-2-yl)acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Formula: C19H18ClN5O4S MolecularWeight: 447.89532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)OC

InChI

InChI=1S/C19H18ClN5O4S/c1-4-7-25-17(27)12-6-5-11(20)8-13(12)21-19(25)30-10-14(26)22-18-23-15(28-2)9-16(24-18)29-3/h4-6,8-9H,1,7,10H2,2-3H3,(H,22,23,24,26)