N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetamide Formula: C26H28ClN5O3S MolecularWeight: 526.05022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC)C4=CC=CC=C4

InChI

InChI=1S/C26H28ClN5O3S/c1-26(2,3)21-15-22(32(30-21)18-8-6-5-7-9-18)29-23(33)16-36-25-28-20-14-17(27)10-11-19(20)24(34)31(25)12-13-35-4/h5-11,14-15H,12-13,16H2,1-4H3,(H,29,33)