2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: 2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: 2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: 2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: 2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: 2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C27H31N5O2S MolecularWeight: 489.63234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(N(N=C4C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(N(N=C4C)C)C

InChI

InChI=1S/C27H31N5O2S/c1-6-7-10-20-13-15-21(16-14-20)32-26(34)22-11-8-9-12-23(22)28-27(32)35-19(4)25(33)29-24-17(2)30-31(5)18(24)3/h8-9,11-16,19H,6-7,10H2,1-5H3,(H,29,33)