6-methyl-5-[3-[methyl-[(1R)-1-phenylethyl]amino]-3-oxidanylidene-propyl]-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[3-[methyl-[(1R)-1-phenylethyl]amino]-3-oxidanylidene-propyl]-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-5-[3-[methyl-[(1R)-1-phenylethyl]amino]-3-oxo-propyl]-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-5-[3-[methyl-[(1R)-1-phenylethyl]amino]-3-oxopropyl]-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-methyl-5-[3-[methyl-[(1R)-1-phenylethyl]amino]-3-oxopropyl]-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-keto-3-[methyl-[(1R)-1-phenylethyl]amino]propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)N(C)[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O2S/c1-12-15(17(23)20-18(19-12)24-4)10-11-16(22)21(3)13(2)14-8-6-5-7-9-14/h5-9,13H,10-11H2,1-4H3,(H,19,20,23)/p-1/t13-/m1/s1