N-(3-chloranyl-4-fluoranyl-phenyl)-6-(oxan-2-ylmethoxy)pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(oxan-2-ylmethoxy)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-(tetrahydropyran-2-ylmethoxy)pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-(2-oxanylmethoxy)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(oxan-2-ylmethoxy)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(tetrahydropyran-2-ylmethoxy)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C18H17ClFN5O2 MolecularWeight: 389.811283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)COC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCOC(C1)COC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C18H17ClFN5O2/c19-13-7-11(4-5-14(13)20)24-17-16-15(22-10-23-17)8-21-18(25-16)27-9-12-3-1-2-6-26-12/h4-5,7-8,10,12H,1-3,6,9H2,(H,22,23,24)