N-[(2S)-butan-2-yl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=NC=CC(=C3)C

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=NC=CC(=C3)C

InChI

InChI=1S/C20H22N4O2S/c1-4-14(3)22-18(25)12-27-20-23-16-8-6-5-7-15(16)19(26)24(20)17-11-13(2)9-10-21-17/h5-11,14H,4,12H2,1-3H3,(H,22,25)/t14-/m0/s1