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

Systemtic Name: [4-azanyl-2-(4-azanylbutylamino)pyrimidin-5-yl]-(5-fluoranyl-2-methoxy-phenyl)methanone Openeye Name: [4-amino-2-(4-aminobutylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)methanone CAS Name: [4-amino-2-(4-aminobutylamino)-5-pyrimidinyl]-(5-fluoro-2-methoxyphenyl)methanone IUPAC Name: [4-amino-2-(4-aminobutylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone Traditional Name: [4-amino-2-(4-aminobutylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)methanone Formula: C16H20FN5O2 MolecularWeight: 333.360703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20FN5O2/c1-24-13-5-4-10(17)8-11(13)14(23)12-9-21-16(22-15(12)19)20-7-3-2-6-18/h4-5,8-9H,2-3,6-7,18H2,1H3,(H3,19,20,21,22)