N-(3-chloranyl-4-fluoranyl-phenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-[4-(4-pyridyl)piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-yl-1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-[4-(4-pyridyl)piperazino]pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C21H18ClFN8 MolecularWeight: 436.872623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C3=NC=C4C(=N3)C(=NC=N4)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C3=NC=C4C(=N3)C(=NC=N4)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C21H18ClFN8/c22-16-11-14(1-2-17(16)23)28-20-19-18(26-13-27-20)12-25-21(29-19)31-9-7-30(8-10-31)15-3-5-24-6-4-15/h1-6,11-13H,7-10H2,(H,26,27,28)