3-azanyl-7-nitro-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]quinazolin-4-one

Systemtic Name: 3-azanyl-7-nitro-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 3-amino-7-nitro-2-[3-[4-(2-quinolyl)piperazin-1-yl]propylsulfanyl]quinazolin-4-one CAS Name: 3-amino-7-nitro-2-[3-[4-(2-quinolinyl)-1-piperazinyl]propylthio]-4-quinazolinone IUPAC Name: 3-amino-7-nitro-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 3-amino-7-nitro-2-[3-[4-(2-quinolyl)piperazino]propylthio]quinazolin-4-one Formula: C24H25N7O3S MolecularWeight: 491.5654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2N)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1CCCSC2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2N)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H25N7O3S/c25-30-23(32)19-8-7-18(31(33)34)16-21(19)27-24(30)35-15-3-10-28-11-13-29(14-12-28)22-9-6-17-4-1-2-5-20(17)26-22/h1-2,4-9,16H,3,10-15,25H2