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

Systemtic Name: [4-azanyl-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-fluoranyl-6-methoxy-phenyl)methanone Openeye Name: [4-amino-2-(4-piperidylamino)pyrimidin-5-yl]-(2-fluoro-6-methoxy-phenyl)methanone CAS Name: [4-amino-2-(4-piperidinylamino)-5-pyrimidinyl]-(2-fluoro-6-methoxyphenyl)methanone IUPAC Name: [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-fluoro-6-methoxyphenyl)methanone Traditional Name: [4-amino-2-(4-piperidylamino)pyrimidin-5-yl]-(2-fluoro-6-methoxy-phenyl)methanone Formula: C17H20FN5O2 MolecularWeight: 345.371403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN5O2/c1-25-13-4-2-3-12(18)14(13)15(24)11-9-21-17(23-16(11)19)22-10-5-7-20-8-6-10/h2-4,9-10,20H,5-8H2,1H3,(H3,19,21,22,23)