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

Systemtic Name: [4-azanyl-2-(thian-4-ylamino)pyrimidin-5-yl]-(5-fluoranyl-2-methoxy-phenyl)methanone Openeye Name: [4-amino-2-(tetrahydrothiopyran-4-ylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)methanone CAS Name: [4-amino-2-(4-thianylamino)-5-pyrimidinyl]-(5-fluoro-2-methoxyphenyl)methanone IUPAC Name: [4-amino-2-(thian-4-ylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone Traditional Name: [4-amino-2-(tetrahydrothiopyran-4-ylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)methanone Formula: C17H19FN4O2S MolecularWeight: 362.421763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCSCC3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCSCC3

InChI

InChI=1S/C17H19FN4O2S/c1-24-14-3-2-10(18)8-12(14)15(23)13-9-20-17(22-16(13)19)21-11-4-6-25-7-5-11/h2-3,8-9,11H,4-7H2,1H3,(H3,19,20,21,22)