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

Systemtic Name: 3-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-cyclohexyl-2-[(3-nitrophenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 3-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-cyclohexyl-2-[(3-nitrobenzyl)thio]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O4S/c31-24(28-13-4-5-14-28)19-11-12-22-23(16-19)27-26(29(25(22)32)20-8-2-1-3-9-20)35-17-18-7-6-10-21(15-18)30(33)34/h6-7,10-12,15-16,20H,1-5,8-9,13-14,17H2