2-[(3-chlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3-(4-methoxyphenyl)-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C27H24ClN3O3S MolecularWeight: 506.01576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H24ClN3O3S/c1-34-22-10-8-21(9-11-22)31-26(33)23-12-7-19(25(32)30-13-2-3-14-30)16-24(23)29-27(31)35-17-18-5-4-6-20(28)15-18/h4-12,15-16H,2-3,13-14,17H2,1H3