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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-pyrrolidin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-pyrrolidin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-(1-pyrrolidinyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-(6-pyrrolidinopyrimido[5,4-d]pyrimidin-4-yl)amine Formula: C16H14ClFN6 MolecularWeight: 344.773963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(C1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C16H14ClFN6/c17-11-7-10(3-4-12(11)18)22-15-14-13(20-9-21-15)8-19-16(23-14)24-5-1-2-6-24/h3-4,7-9H,1-2,5-6H2,(H,20,21,22)