N-(2-methoxy-5-methyl-phenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C25H24N4O3S/c1-16-10-11-22(32-3)21(13-16)27-23(30)17(2)33-25-28-20-9-5-4-8-19(20)24(31)29(25)15-18-7-6-12-26-14-18/h4-14,17H,15H2,1-3H3,(H,27,30)