N-(2-butan-2-ylphenyl)-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-sec-butylphenyl)propanamide CAS Name: N-(2-butan-2-ylphenyl)-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]-N-(2-sec-butylphenyl)propionamide Formula: C27H28N4O2S MolecularWeight: 472.60182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C

InChI

InChI=1S/C27H28N4O2S/c1-5-18(3)20-10-6-8-12-22(20)29-25(32)19(4)34-27-30-23-13-9-7-11-21(23)26(33)31(27)24-15-14-17(2)16-28-24/h6-16,18-19H,5H2,1-4H3,(H,29,32)