5-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-6-methyl-2-[(1R)-1-phenylethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-6-methyl-2-[(1R)-1-phenylethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl]-6-methyl-2-[(1R)-1-phenylethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-[[(1R)-1-phenylethyl]thio]-4-pyrimidinolate IUPAC Name: 5-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-[2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl]-6-methyl-2-[[(1R)-1-phenylethyl]thio]pyrimidin-4-olate Formula: C24H26N3O3S- MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC(C)C2=CC=CC=C2)[O-])CC(=O)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)S[C@H](C)C2=CC=CC=C2)[O-])CC(=O)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H27N3O3S/c1-16-21(15-22(28)25-14-13-18-9-11-20(30-3)12-10-18)23(29)27-24(26-16)31-17(2)19-7-5-4-6-8-19/h4-12,17H,13-15H2,1-3H3,(H,25,28)(H,26,27,29)/p-1/t17-/m1/s1