N-[2-(4-methoxyphenyl)ethyl]-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H24N4O3S/c1-17-7-12-22(27-15-17)29-24(31)20-5-3-4-6-21(20)28-25(29)33-16-23(30)26-14-13-18-8-10-19(32-2)11-9-18/h3-12,15H,13-14,16H2,1-2H3,(H,26,30)