N-[(2S)-heptan-2-yl]-2-[3-(6-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-heptan-2-yl]-2-[3-(6-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-methylhexyl]-2-[3-(6-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[[3-(6-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-[3-(6-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(6-methyl-2-pyridyl)quinazolin-2-yl]thio]-N-[(1S)-1-methylhexyl]acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-4-5-6-10-17(3)25-21(28)15-30-23-26-19-13-8-7-12-18(19)22(29)27(23)20-14-9-11-16(2)24-20/h7-9,11-14,17H,4-6,10,15H2,1-3H3,(H,25,28)/t17-/m0/s1