N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-pyrrolidin-3-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-pyrrolidin-3-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-pyrrolidin-3-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-(3-pyrrolidinyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-pyrrolidin-3-ylpyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloro-4-fluoro-anilino)pyrimido[5,4-d]pyrimidin-6-yl]-pyrrolidin-3-yl-amine Formula: C16H15ClFN7 MolecularWeight: 359.788603

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CNCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C16H15ClFN7/c17-11-5-9(1-2-12(11)18)23-15-14-13(21-8-22-15)7-20-16(25-14)24-10-3-4-19-6-10/h1-2,5,7-8,10,19H,3-4,6H2,(H,20,24,25)(H,21,22,23)