2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-phenylbutyl)propanamide

Systemtic Name: 2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-phenylbutyl)propanamide Openeye Name: 2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-phenylbutyl)propanamide CAS Name: 2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-N-(1-phenylbutyl)propanamide IUPAC Name: 2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-phenylbutyl)propanamide Traditional Name: 2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]-N-(1-phenylbutyl)propionamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O2S/c1-4-10-22(20-11-6-5-7-12-20)29-25(32)19(3)34-27-30-23-14-9-8-13-21(23)26(33)31(27)24-16-15-18(2)17-28-24/h5-9,11-17,19,22H,4,10H2,1-3H3,(H,29,32)