N-(5-chloranylpyridin-2-yl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]propionamide Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4O2S/c1-10-4-6-14-13(8-10)17(25)23(3)18(21-14)26-11(2)16(24)22-15-7-5-12(19)9-20-15/h4-9,11H,1-3H3,(H,20,22,24)