2-[(5-fluoranyl-2-nitro-phenoxy)methyl]-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(5-fluoranyl-2-nitro-phenoxy)methyl]-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5-fluoro-2-nitro-phenoxy)methyl]-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(5-fluoro-2-nitrophenoxy)methyl]-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(5-fluoro-2-nitrophenoxy)methyl]-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(5-fluoro-2-nitro-phenoxy)methyl]-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H20FN3O4S MolecularWeight: 405.443203

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)COC3=C(C=CC(=C3)F)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)COC3=C(C=CC(=C3)F)[N+](=O)[O-])C

InChI

InChI=1S/C19H20FN3O4S/c1-4-10(2)7-13-11(3)28-19-17(13)18(24)21-16(22-19)9-27-15-8-12(20)5-6-14(15)23(25)26/h5-6,8,10H,4,7,9H2,1-3H3,(H,21,22,24)/t10-/m0/s1