[4-azanyl-2-[(4-oxidanylcyclohexyl)amino]pyrimidin-5-yl]-(5-fluoranyl-2-methoxy-phenyl)methanone

Systemtic Name: [4-azanyl-2-[(4-oxidanylcyclohexyl)amino]pyrimidin-5-yl]-(5-fluoranyl-2-methoxy-phenyl)methanone Openeye Name: [4-amino-2-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)methanone CAS Name: [4-amino-2-[(4-hydroxycyclohexyl)amino]-5-pyrimidinyl]-(5-fluoro-2-methoxyphenyl)methanone IUPAC Name: [4-amino-2-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone Traditional Name: [4-amino-2-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)methanone Formula: C18H21FN4O3 MolecularWeight: 360.382743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCC(CC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCC(CC3)O

InChI

InChI=1S/C18H21FN4O3/c1-26-15-7-2-10(19)8-13(15)16(25)14-9-21-18(23-17(14)20)22-11-3-5-12(24)6-4-11/h2,7-9,11-12,24H,3-6H2,1H3,(H3,20,21,22,23)