2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-7-chloranyl-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-7-chloranyl-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-7-chloro-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-7-chloro-3-(2-methoxy-5-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-7-chloro-3-(2-methoxy-5-methylphenyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-7-chloro-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C25H20ClN5O2S MolecularWeight: 489.9766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C25H20ClN5O2S/c1-14-7-10-21(33-2)20(11-14)31-24(32)17-9-8-15(26)12-19(17)29-25(31)34-13-22-28-18-6-4-3-5-16(18)23(27)30-22/h3-12H,13H2,1-2H3,(H2,27,28,30)