3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(4-nitrobenzyl)thio]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C28H26N4O4S MolecularWeight: 514.59544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-])C

InChI

InChI=1S/C28H26N4O4S/c1-18-13-19(2)15-23(14-18)31-27(34)24-10-7-21(26(33)30-11-3-4-12-30)16-25(24)29-28(31)37-17-20-5-8-22(9-6-20)32(35)36/h5-10,13-16H,3-4,11-12,17H2,1-2H3