2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C24H26N3O4S- MolecularWeight: 452.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c1-16-19(13-17-7-5-4-6-8-17)23(29)27-24(26-16)32-15-22(28)25-12-11-18-9-10-20(30-2)21(14-18)31-3/h4-10,14H,11-13,15H2,1-3H3,(H,25,28)(H,26,27,29)/p-1