5-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[3-[4-(4-hydroxyphenyl)-1-piperidyl]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[3-[4-(4-hydroxyphenyl)-1-piperidinyl]-3-oxopropyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-[4-(4-hydroxyphenyl)piperidino]-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C20H24N3O3S- MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)N2CCC(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)N2CCC(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H25N3O3S/c1-13-17(19(26)22-20(21-13)27-2)7-8-18(25)23-11-9-15(10-12-23)14-3-5-16(24)6-4-14/h3-6,15,24H,7-12H2,1-2H3,(H,21,22,26)/p-1