7-chloranyl-3-(3-methylphenyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-methylphenyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(m-tolyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-methylphenyl)-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methylphenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(m-tolyl)-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]quinazolin-4-one Formula: C27H24ClN3O2S MolecularWeight: 490.01636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C27H24ClN3O2S/c1-18-5-4-6-22(15-18)31-26(33)23-12-11-21(28)16-24(23)29-27(31)34-17-19-7-9-20(10-8-19)25(32)30-13-2-3-14-30/h4-12,15-16H,2-3,13-14,17H2,1H3