2-[(2-fluorophenyl)methylsulfanyl]-6-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-(isopentylamino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-[2-(3-methylbutylamino)-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-(3-methylbutylamino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-6-[2-(isoamylamino)-2-keto-ethyl]pyrimidin-4-olate Formula: C18H21FN3O2S- MolecularWeight: 362.441643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CC1=CC(=NC(=N1)SCC2=CC=CC=C2F)[O-]

Isomeric SMILES

CC(C)CCNC(=O)CC1=CC(=NC(=N1)SCC2=CC=CC=C2F)[O-]

InChI

InChI=1S/C18H22FN3O2S/c1-12(2)7-8-20-16(23)9-14-10-17(24)22-18(21-14)25-11-13-5-3-4-6-15(13)19/h3-6,10,12H,7-9,11H2,1-2H3,(H,20,23)(H,21,22,24)/p-1