N2-(3-chloranyl-4-methoxy-phenyl)-N4-cyclobutyl-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-chloranyl-4-methoxy-phenyl)-N4-cyclobutyl-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N2-(3-chloro-4-methoxy-phenyl)-N4-cyclobutyl-5-fluoro-pyrimidine-2,4-diamine CAS Name: N2-(3-chloro-4-methoxyphenyl)-N4-cyclobutyl-5-fluoropyrimidine-2,4-diamine IUPAC Name: 2-N-(3-chloro-4-methoxyphenyl)-4-N-cyclobutyl-5-fluoropyrimidine-2,4-diamine Traditional Name: [2-(3-chloro-4-methoxy-anilino)-5-fluoro-pyrimidin-4-yl]-cyclobutyl-amine Formula: C15H16ClFN4O MolecularWeight: 322.765143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3CCC3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3CCC3)F)Cl

InChI

InChI=1S/C15H16ClFN4O/c1-22-13-6-5-10(7-11(13)16)20-15-18-8-12(17)14(21-15)19-9-3-2-4-9/h5-9H,2-4H2,1H3,(H2,18,19,20,21)