5-[3-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[3-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[3-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C18H21FN3O3S- MolecularWeight: 378.441043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)N(C)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)N(C)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C18H22FN3O3S/c1-11-13(17(24)21-18(20-11)26-4)6-8-16(23)22(2)10-12-5-7-15(25-3)14(19)9-12/h5,7,9H,6,8,10H2,1-4H3,(H,20,21,24)/p-1