N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-(2-piperidin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-(2-piperidin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-[2-(4-piperidyl)ethyl]pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-[2-(4-piperidinyl)ethyl]pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-(2-piperidin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloro-4-fluoro-anilino)pyrimido[5,4-d]pyrimidin-6-yl]-[2-(4-piperidyl)ethyl]amine Formula: C19H21ClFN7 MolecularWeight: 401.868343

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCNC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CNCCC1CCNC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C19H21ClFN7/c20-14-9-13(1-2-15(14)21)27-18-17-16(25-11-26-18)10-24-19(28-17)23-8-5-12-3-6-22-7-4-12/h1-2,9-12,22H,3-8H2,(H,23,24,28)(H,25,26,27)