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

Systemtic Name: 3-(3-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[(4-nitrophenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-2-[(4-nitrobenzyl)thio]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C27H24N4O5S MolecularWeight: 516.56826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H24N4O5S/c1-36-22-6-4-5-21(16-22)30-26(33)23-12-9-19(25(32)29-13-2-3-14-29)15-24(23)28-27(30)37-17-18-7-10-20(11-8-18)31(34)35/h4-12,15-16H,2-3,13-14,17H2,1H3