2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide Openeye Name: 2-[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4,6-dimethoxypyrimidin-2-yl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Formula: C21H22ClN5O5S MolecularWeight: 491.94788

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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)N2CC4CCCO4)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4)OC

InChI

InChI=1S/C21H22ClN5O5S/c1-30-17-9-18(31-2)26-20(25-17)24-16(28)11-33-21-23-15-8-12(22)5-6-14(15)19(29)27(21)10-13-4-3-7-32-13/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,24,25,26,28)