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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-[(4,6-dimethylpyrimidin-2-yl)amino]quinazolin-4-one Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C25H27N5OS/c1-16-14-17(2)27-23(26-16)29-30-22(31)20-8-6-7-9-21(20)28-24(30)32-15-18-10-12-19(13-11-18)25(3,4)5/h6-14H,15H2,1-5H3,(H,26,27,29)