6-[(4-chlorophenyl)methylsulfanyl]-2-[(8-methoxy-4-methyl-quinazolin-2-yl)amino]-1,3-diazinan-4-one

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanyl]-2-[(8-methoxy-4-methyl-quinazolin-2-yl)amino]-1,3-diazinan-4-one Openeye Name: 6-[(4-chlorophenyl)methylsulfanyl]-2-[(8-methoxy-4-methyl-quinazolin-2-yl)amino]hexahydropyrimidin-4-one CAS Name: 6-[(4-chlorophenyl)methylthio]-2-[(8-methoxy-4-methyl-2-quinazolinyl)amino]-1,3-diazinan-4-one IUPAC Name: 6-[(4-chlorophenyl)methylsulfanyl]-2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one Traditional Name: 6-[(4-chlorobenzyl)thio]-2-[(8-methoxy-4-methyl-quinazolin-2-yl)amino]hexahydropyrimidin-4-one Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC=C2OC)NC3NC(CC(=O)N3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC(=NC2=C1C=CC=C2OC)NC3NC(CC(=O)N3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5O2S/c1-12-15-4-3-5-16(29-2)19(15)26-20(23-12)27-21-24-17(28)10-18(25-21)30-11-13-6-8-14(22)9-7-13/h3-9,18,21,25H,10-11H2,1-2H3,(H,24,28)(H,23,26,27)