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

Systemtic Name: N6-tert-butyl-N4-(3-chloranyl-4-fluoranyl-phenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N6-tert-butyl-N4-(3-chloro-4-fluoro-phenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N6-tert-butyl-N4-(3-chloro-4-fluorophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-tert-butyl-4-N-(3-chloro-4-fluorophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: tert-butyl-[4-(3-chloro-4-fluoro-anilino)pyrimido[5,4-d]pyrimidin-6-yl]amine Formula: C16H16ClFN6 MolecularWeight: 346.789843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)NC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H16ClFN6/c1-16(2,3)24-15-19-7-12-13(23-15)14(21-8-20-12)22-9-4-5-11(18)10(17)6-9/h4-8H,1-3H3,(H,19,23,24)(H,20,21,22)