N-(2-cyano-3-methyl-butan-2-yl)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]propionamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C23H25N5O2S/c1-14(2)23(5,13-24)27-20(29)16(4)31-22-26-18-9-7-6-8-17(18)21(30)28(22)19-12-15(3)10-11-25-19/h6-12,14,16H,1-5H3,(H,27,29)