2-[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]ethanamide

Systemtic Name: 2-[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]ethanamide Openeye Name: N-[(1R)-1-methylbutyl]-2-[3-(3-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(3-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-N-[(2R)-pentan-2-yl]acetamide IUPAC Name: 2-[3-(3-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide Traditional Name: 2-[[4-keto-3-(3-methyl-2-pyridyl)quinazolin-2-yl]thio]-N-[(1R)-1-methylbutyl]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC=N3)C

Isomeric SMILES

CCC[C@@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC=N3)C

InChI

InChI=1S/C21H24N4O2S/c1-4-8-15(3)23-18(26)13-28-21-24-17-11-6-5-10-16(17)20(27)25(21)19-14(2)9-7-12-22-19/h5-7,9-12,15H,4,8,13H2,1-3H3,(H,23,26)/t15-/m1/s1