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

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-piperidin-3-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-(3-piperidyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-(3-piperidinyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-piperidin-3-ylpyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloro-4-fluoro-anilino)pyrimido[5,4-d]pyrimidin-6-yl]-(3-piperidyl)amine Formula: C17H17ClFN7 MolecularWeight: 373.815183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CC(CNC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C17H17ClFN7/c18-12-6-10(3-4-13(12)19)24-16-15-14(22-9-23-16)8-21-17(26-15)25-11-2-1-5-20-7-11/h3-4,6,8-9,11,20H,1-2,5,7H2,(H,21,25,26)(H,22,23,24)