2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C25H26ClN5O2S MolecularWeight: 496.02424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC4=C(C=C(C=C4)Cl)C(=O)N3CC(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC4=C(C=C(C=C4)Cl)C(=O)N3CC(C)C

InChI

InChI=1S/C25H26ClN5O2S/c1-15(2)13-30-24(33)20-12-18(26)10-11-21(20)27-25(30)34-14-22(32)28-23-16(3)29-31(17(23)4)19-8-6-5-7-9-19/h5-12,15H,13-14H2,1-4H3,(H,28,32)