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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-pentyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-pentyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-3-pentyl-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-pentyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-amyl-2-[(3-nitrobenzyl)thio]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCC3)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCC3)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O4S/c1-2-3-4-14-28-24(31)21-11-10-19(23(30)27-12-5-6-13-27)16-22(21)26-25(28)34-17-18-8-7-9-20(15-18)29(32)33/h7-11,15-16H,2-6,12-14,17H2,1H3