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

Systemtic Name: 5-[3-[cyclohexyl(methyl)amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[3-[cyclohexyl(methyl)amino]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[cyclohexyl(methyl)amino]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-[cyclohexyl(methyl)amino]-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C16H24N3O2S- MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)N(C)C2CCCCC2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)N(C)C2CCCCC2

InChI

InChI=1S/C16H25N3O2S/c1-11-13(15(21)18-16(17-11)22-3)9-10-14(20)19(2)12-7-5-4-6-8-12/h12H,4-10H2,1-3H3,(H,17,18,21)/p-1