3-azanyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[3-[4-(2-quinolyl)piperazin-1-yl]propylsulfanyl]pyrido[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[3-[4-(2-quinolinyl)-1-piperazinyl]propylthio]-4-pyrido[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[3-[4-(2-quinolyl)piperazino]propylthio]pyrido[2,3-d]pyrimidin-4-one Formula: C23H25N7OS MolecularWeight: 447.5559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC3=C(C=CC=N3)C(=O)N2N)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1CCCSC2=NC3=C(C=CC=N3)C(=O)N2N)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H25N7OS/c24-30-22(31)18-6-3-10-25-21(18)27-23(30)32-16-4-11-28-12-14-29(15-13-28)20-9-8-17-5-1-2-7-19(17)26-20/h1-3,5-10H,4,11-16,24H2