6-[4-(2-azanylethyl)piperazin-1-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: 6-[4-(2-azanylethyl)piperazin-1-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: 6-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-chloro-4-fluoro-phenyl)pyrimido[5,4-d]pyrimidin-4-amine CAS Name: 6-[4-(2-aminoethyl)-1-piperazinyl]-N-(3-chloro-4-fluorophenyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: 6-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-chloro-4-fluorophenyl)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: [6-[4-(2-aminoethyl)piperazino]pyrimido[5,4-d]pyrimidin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C18H20ClFN8 MolecularWeight: 402.856403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1CCN)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C18H20ClFN8/c19-13-9-12(1-2-14(13)20)25-17-16-15(23-11-24-17)10-22-18(26-16)28-7-5-27(4-3-21)6-8-28/h1-2,9-11H,3-8,21H2,(H,23,24,25)