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

Systemtic Name: 7-chloranyl-3-(2-methylphenyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(o-tolyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(2-methylphenyl)-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(2-methylphenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(o-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=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C27H24ClN3O2S/c1-18-6-2-3-7-24(18)31-26(33)22-13-12-21(28)16-23(22)29-27(31)34-17-19-8-10-20(11-9-19)25(32)30-14-4-5-15-30/h2-3,6-13,16H,4-5,14-15,17H2,1H3