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

Systemtic Name: [4-azanyl-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(4-fluoranyl-2-methoxy-phenyl)methanone Openeye Name: [4-amino-2-(4-piperidylamino)pyrimidin-5-yl]-(4-fluoro-2-methoxy-phenyl)methanone CAS Name: [4-amino-2-(4-piperidinylamino)-5-pyrimidinyl]-(4-fluoro-2-methoxyphenyl)methanone IUPAC Name: [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(4-fluoro-2-methoxyphenyl)methanone Traditional Name: [4-amino-2-(4-piperidylamino)pyrimidin-5-yl]-(4-fluoro-2-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/c1-25-14-8-10(18)2-3-12(14)15(24)13-9-21-17(23-16(13)19)22-11-4-6-20-7-5-11/h2-3,8-9,11,20H,4-7H2,1H3,(H3,19,21,22,23)