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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-(4-pyrrolidin-1-yl-1-piperidyl)pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-[4-(1-pyrrolidinyl)-1-piperidinyl]-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(4-pyrrolidinopiperidino)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C21H23ClFN7 MolecularWeight: 427.905623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)C3=NC=C4C(=N3)C(=NC=N4)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)C3=NC=C4C(=N3)C(=NC=N4)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C21H23ClFN7/c22-16-11-14(3-4-17(16)23)27-20-19-18(25-13-26-20)12-24-21(28-19)30-9-5-15(6-10-30)29-7-1-2-8-29/h3-4,11-13,15H,1-2,5-10H2,(H,25,26,27)