[4-azanyl-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-fluoranyl-4,6-dimethoxy-phenyl)methanone

Systemtic Name: [4-azanyl-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-fluoranyl-4,6-dimethoxy-phenyl)methanone Openeye Name: [4-amino-2-(4-piperidylamino)pyrimidin-5-yl]-(2-fluoro-4,6-dimethoxy-phenyl)methanone CAS Name: [4-amino-2-(4-piperidinylamino)-5-pyrimidinyl]-(2-fluoro-4,6-dimethoxyphenyl)methanone IUPAC Name: [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-fluoro-4,6-dimethoxyphenyl)methanone Traditional Name: [4-amino-2-(4-piperidylamino)pyrimidin-5-yl]-(2-fluoro-4,6-dimethoxy-phenyl)methanone Formula: C18H22FN5O3 MolecularWeight: 375.397383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCNCC3)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCNCC3)OC

InChI

InChI=1S/C18H22FN5O3/c1-26-11-7-13(19)15(14(8-11)27-2)16(25)12-9-22-18(24-17(12)20)23-10-3-5-21-6-4-10/h7-10,21H,3-6H2,1-2H3,(H3,20,22,23,24)