4-[(4-chlorophenyl)methylsulfanyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one CAS Name: 4-[(4-chlorophenyl)methylthio]-2-[(4,7-dimethyl-2-quinazolinyl)amino]-1H-pyrimidin-6-one IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one Traditional Name: 4-[(4-chlorobenzyl)thio]-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC(=CC(=O)N3)SCC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC(=CC(=O)N3)SCC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H18ClN5OS/c1-12-3-8-16-13(2)23-20(24-17(16)9-12)27-21-25-18(28)10-19(26-21)29-11-14-4-6-15(22)7-5-14/h3-10H,11H2,1-2H3,(H2,23,24,25,26,27,28)