2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(6-chloranylpyridazin-3-yl)amino]quinazolin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(6-chloranylpyridazin-3-yl)amino]quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(6-chloropyridazin-3-yl)amino]quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-[(6-chloro-3-pyridazinyl)amino]-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(6-chloropyridazin-3-yl)amino]quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-[(6-chloropyridazin-3-yl)amino]quinazolin-4-one Formula: C23H22ClN5OS MolecularWeight: 451.97168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2NC4=NN=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2NC4=NN=C(C=C4)Cl

InChI

InChI=1S/C23H22ClN5OS/c1-23(2,3)16-10-8-15(9-11-16)14-31-22-25-18-7-5-4-6-17(18)21(30)29(22)28-20-13-12-19(24)26-27-20/h4-13H,14H2,1-3H3,(H,27,28)