3-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]propylcarbamic acid

Systemtic Name: 3-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]propylcarbamic acid Openeye Name: 3-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]propylcarbamic acid CAS Name: 3-[[4-amino-5-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]propylcarbamic acid IUPAC Name: 3-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]propylcarbamic acid Traditional Name: 3-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]propylcarbamic acid Formula: C16H18FN5O4 MolecularWeight: 363.343623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FN5O4/c1-26-12-4-3-9(17)7-10(12)13(23)11-8-21-15(22-14(11)18)19-5-2-6-20-16(24)25/h3-4,7-8,20H,2,5-6H2,1H3,(H,24,25)(H3,18,19,21,22)