N-[3,5-bis(chloranyl)pyridin-2-yl]-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[3,5-bis(chloranyl)pyridin-2-yl]-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,5-dichloro-2-pyridyl)propanamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(3,5-dichloro-2-pyridinyl)propanamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,5-dichloropyridin-2-yl)propanamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(3,5-dichloro-2-pyridyl)propionamide Formula: C20H20Cl2N4O2S MolecularWeight: 451.3694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C=N3)Cl)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C=N3)Cl)Cl

InChI

InChI=1S/C20H20Cl2N4O2S/c1-3-4-9-26-19(28)14-7-5-6-8-16(14)24-20(26)29-12(2)18(27)25-17-15(22)10-13(21)11-23-17/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,25,27)