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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C=N3)Cl)Cl

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C=N3)Cl)Cl

InChI

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