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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(4-piperazin-1-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-(4-piperazin-1-yl-1-piperidyl)pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-[4-(1-piperazinyl)-1-piperidinyl]-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(4-piperazin-1-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(4-piperazinopiperidino)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C21H24ClFN8 MolecularWeight: 442.920263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCNCC2)C3=NC=C4C(=N3)C(=NC=N4)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1CN(CCC1N2CCNCC2)C3=NC=C4C(=N3)C(=NC=N4)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C21H24ClFN8/c22-16-11-14(1-2-17(16)23)28-20-19-18(26-13-27-20)12-25-21(29-19)31-7-3-15(4-8-31)30-9-5-24-6-10-30/h1-2,11-13,15,24H,3-10H2,(H,26,27,28)