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

Systemtic Name: 3-azanyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 3-amino-2-[3-[4-(2-quinolyl)piperazin-1-yl]propylsulfanyl]quinazolin-4-one CAS Name: 3-amino-2-[3-[4-(2-quinolinyl)-1-piperazinyl]propylthio]-4-quinazolinone IUPAC Name: 3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 3-amino-2-[3-[4-(2-quinolyl)piperazino]propylthio]quinazolin-4-one Formula: C24H26N6OS MolecularWeight: 446.56784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC3=CC=CC=C3C(=O)N2N)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1CCCSC2=NC3=CC=CC=C3C(=O)N2N)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H26N6OS/c25-30-23(31)19-7-2-4-9-21(19)27-24(30)32-17-5-12-28-13-15-29(16-14-28)22-11-10-18-6-1-3-8-20(18)26-22/h1-4,6-11H,5,12-17,25H2