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

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-methyl-N6-piperidin-3-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-methyl-N6-(3-piperidyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-methyl-N6-(3-piperidinyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-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]-methyl-(3-piperidyl)amine Formula: C18H19ClFN7 MolecularWeight: 387.841763

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCNC1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CN(C1CCCNC1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C18H19ClFN7/c1-27(12-3-2-6-21-8-12)18-22-9-15-16(26-18)17(24-10-23-15)25-11-4-5-14(20)13(19)7-11/h4-5,7,9-10,12,21H,2-3,6,8H2,1H3,(H,23,24,25)