2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyclohexylcarbamoyl)propanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyclohexylcarbamoyl)propanamide Openeye Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(cyclohexylcarbamoyl)propanamide CAS Name: 2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-N-[(cyclohexylamino)-oxomethyl]propanamide IUPAC Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclohexylcarbamoyl)propanamide Traditional Name: 2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-N-(cyclohexylcarbamoyl)propionamide Formula: C21H27ClN4O4S MolecularWeight: 466.98148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

InChI

InChI=1S/C21H27ClN4O4S/c1-13(18(27)25-20(29)23-15-6-4-3-5-7-15)31-21-24-17-12-14(22)8-9-16(17)19(28)26(21)10-11-30-2/h8-9,12-13,15H,3-7,10-11H2,1-2H3,(H2,23,25,27,29)