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

Systemtic Name: 2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide Openeye Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide CAS Name: 2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-N-(ethylcarbamoyl)propanamide IUPAC Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide Traditional Name: 2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-N-(ethylcarbamoyl)propionamide Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCOC

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCOC

InChI

InChI=1S/C17H21ClN4O4S/c1-4-19-16(25)21-14(23)10(2)27-17-20-13-9-11(18)5-6-12(13)15(24)22(17)7-8-26-3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,21,23,25)