N-(5-methyl-1H-pyrazol-3-yl)-2-(6-morpholin-4-yl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1H-pyrazol-3-yl)-2-(6-morpholin-4-yl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-methyl-1H-pyrazol-3-yl)-2-(6-morpholino-4-oxo-3-phenethyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[[6-(4-morpholinyl)-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-methyl-1H-pyrazol-3-yl)-2-(6-morpholin-4-yl-4-oxo-3-phenethylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C26H28N6O3S MolecularWeight: 504.60392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C26H28N6O3S/c1-18-15-23(30-29-18)28-24(33)17-36-26-27-22-8-7-20(31-11-13-35-14-12-31)16-21(22)25(34)32(26)10-9-19-5-3-2-4-6-19/h2-8,15-16H,9-14,17H2,1H3,(H2,28,29,30,33)