2-(4-phenylazanylquinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-(4-phenylazanylquinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C22H22N6OS/c1-14-20(15(2)28(3)27-14)25-19(29)13-30-22-24-18-12-8-7-11-17(18)21(26-22)23-16-9-5-4-6-10-16/h4-12H,13H2,1-3H3,(H,25,29)(H,23,24,26)