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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(4-piperidin-4-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-[4-(4-piperidyl)-1-piperidyl]pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-[4-(4-piperidinyl)-1-piperidinyl]-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(4-piperidin-4-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-[4-(4-piperidyl)piperidino]pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C22H25ClFN7 MolecularWeight: 441.932203

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2CCN(CC2)C3=NC=C4C(=N3)C(=NC=N4)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1CNCCC1C2CCN(CC2)C3=NC=C4C(=N3)C(=NC=N4)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C22H25ClFN7/c23-17-11-16(1-2-18(17)24)29-21-20-19(27-13-28-21)12-26-22(30-20)31-9-5-15(6-10-31)14-3-7-25-8-4-14/h1-2,11-15,25H,3-10H2,(H,27,28,29)