2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: N-(isopropylcarbamoyl)-2-[4-oxo-3-(4-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[oxo-(propan-2-ylamino)methyl]-2-[[4-oxo-3-(pyridin-4-ylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-[4-oxo-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: N-(isopropylcarbamoyl)-2-[[4-keto-3-(4-pyridylmethyl)quinazolin-2-yl]thio]acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=NC=C3

Isomeric SMILES

CC(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=NC=C3

InChI

InChI=1S/C20H21N5O3S/c1-13(2)22-19(28)24-17(26)12-29-20-23-16-6-4-3-5-15(16)18(27)25(20)11-14-7-9-21-10-8-14/h3-10,13H,11-12H2,1-2H3,(H2,22,24,26,28)